Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94033 | Target Info | |||
| Target Name | Coagulation factor IIa (F2) | ||||
| Synonyms | Prothrombin; Coagulation factor II | ||||
| Target Type | Successful Target | ||||
| Gene Name | F2 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | tyrosine O-sulfate | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)O | ||||
| InChI | 1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | CIQHWLTYGMYQQR-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 514186 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1DOJ Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
TFGSGEADCG
2 LRPLFEKKSL12 EDKTERELLE14H SYIDIVEGSD21 AEIGMSPWQV31 MLFRKSPQEL 40 LCGASLISDR50 WVLTAAHCLL60 YPPWDKNFTE61 NDLLVRIGKH71 SRTRYERNIE 80 KISMLEKIYI90 HPRYNWRENL99 DRDIALMKLK109 KPVAFSDYIH119 PVCLPDRETA 129 ASLLQAGYKG136 RVTGWGNLKE146 TWTANVGKGQ151 PSVLQVVNLP161 IVERPVCKDS 171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN204B NRWYQMGIVS 214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FGE
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| PDB ID: 1XM1 Nonbasic Thrombin Inhibitor Complex | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
ADCGLRPLFE
8 KKSLEDKTER14D ELLESYIIVE18 GSDAEIGMSP28 WQVMLFRKSP37 QELLCGASLI 47 SDRWVLTAAH57 CLLYPPWDKN60G FTENDLLVRI68 GKHSRTRYER77A NIEKISMLEK 87 IYIHPRYNWR97 ENLDRDIALM106 KLKKPVAFSD116 YIHPVCLPDR126 ETAASLLQAG 133 YKGRVTGWGN143 LKETWTANVG149D KGQPSVLQVV158 NLPIVERPVC168 KDSTRIRITD 178 NMFCAGYKPD186A EGKRGDACEG193 DSGGPFVMKS203 PFNNRWYQMG211 IVSWGEGCDR 221A DGKYGFYTHV231 FRLKKWIQKV241 IDQF
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| PDB ID: 2BDY thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [3] |
| PDB Sequence |
ADCGLRPLFE
16 KKSLEDKTER26 ELLESYIIVE39 GSDAEIGMSP49 WQVMLFRKSP59 QELLCGASLI 69 SDRWVLTAAH79 CLLYPPWDKN89 FTENDLLVRI99 GKHSRTRYER109 NIEKISMLEK 119 IYIHPRYNWR129 ENLDRDIALM139 KLKKPVAFSD149 YIHPVCLPDR159 ETAASLLQAG 169 YKGRVTGWGN179 LKETGQPSVL190 QVVNLPIVER200 PVCKDSTRIR210 ITDNMFCAGY 220 KPDEGKRGDA230 CEGDSGGPFV240 MKSPFNNRWY250 QMGIVSWGEG260 CDRDGKYGFY 270 THVFRLKKWI280 QKVIDQ
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| PDB ID: 1D9I STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
ADCGLRPLFE
8 KKSLEDKTER14D ELLESYIDIV17 EGSDAEIGMS27 PWQVMLFRKS36A PQELLCGASL 46 ISDRWVLTAA56 HCLLYPPWDK60F NFTENDLLVR67 IGKHSRTRYE77 RNIEKISMLE 86 KIYIHPRYNW96 RENLDRDIAL105 MKLKKPVAFS115 DYIHPVCLPD125 RETAASLLQA 132 GYKGRVTGWG142 NLKETGQPSV154 LQVVNLPIVE164 RPVCKDSTRI174 RITDNMFCAG 184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW207 YQMGIVSWGE217 GCDRDGKYGF 227 YTHVFRLKKW237 IQKVIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1NM6 thrombin in complex with selective macrocyclic inhibitor at 1.8A | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1Z71 thrombin and P2 pyridine N-oxide inhibitor complex structure | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1SL3 crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [7] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14F LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60I TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97B NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3C1K Crystal structure of thrombin in complex with inhibitor 15 | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [8] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1TA6 Crystal structure of thrombin in complex with compound 14b | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [9] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1ZRB Thrombin in complex with an azafluorenyl inhibitor 23b | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [10] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D6W STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
ADCGLRPLFE
8 KKSLEDKTER14D ELLESYIDIV17 EGSDAEIGMS27 PWQVMLFRKS36A PQELLCGASL 46 ISDRWVLTAA56 HCLLYPPWDK60F NFTENDLLVR67 IGKHSRTRYE77 RNIEKISMLE 86 KIYIHPRYNW96 RENLDRDIAL105 MKLKKPVAFS115 DYIHPVCLPD125 RETAASLLQA 132 GYKGRVTGWG142 NLKETGQPSV154 LQVVNLPIVE164 RPVCKDSTRI174 RITDNMFCAG 184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW207 YQMGIVSWGE217 GCDRDGKYGF 227 YTHVFRLKKW237 IQKVIDQF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1NT1 thrombin in complex with selective macrocyclic inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1ZGI thrombin in complex with an oxazolopyridine inhibitor 21 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [11] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1ZGV Thrombin in complex with an oxazolopyridine inhibitor 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [11] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1TA2 Crystal structure of thrombin in complex with compound 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| PDB Sequence |
DCGLRPLFEK
9 KSLEDKTERE14E LLESYIIVEG19 SDAEIGMSPW29 QVMLFRKSPQ38 ELLCGASLIS 48 DRWVLTAAHC58 LLYPPWDKNF60H TENDLLVRIG69 KHSRTRYERN78 IEKISMLEKI 88 YIHPRYNWRE97A NLDRDIALMK107 LKKPVAFSDY117 IHPVCLPDRE127 TAASLLQAGY 134 KGRVTGWGNL144 KEGQPSVLQV157 VNLPIVERPV167 CKDSTRIRIT177 DNMFCAGYKP 186 DEGKRGDACE192 GDSGGPFVMK202 SPFNNRWYQM210 GIVSWGEGCD221 RDGKYGFYTH 230 VFRLKKWIQK240 VIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .A:36 or .A:65 or .A:76 or .A:80 or .A:81 or .A:82 or .A:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1H8D X-ray structure of the human alpha-thrombin complex with a tripeptide phosphonate inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [12] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GCSSVLIVVC 268
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UD9 Thrombin in complex with 5-chlorothiophene-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A GQPSVLQVVN 159 LPIVERPVCK169 DSTRIRITDN179 MFCAGYKPDE186B GKRGDACEGD194 SGGPFVMKSP 204 FNNRWYQMGI212 VSWGEGCDRD222 GKYGFYTHVF232 RLKKWIQKVI242 DQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RM2 Human Thrombin in complex with MI003 | ||||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3SI4 Human Thrombin In Complex With UBTHR104 | ||||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5JZY Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [16] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5MM6 Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [17] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDSCEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3SV2 Human Thrombin In Complex With UBTHR105 | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2UUJ Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [18] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RM0 Human Thrombin in complex with MI354 | ||||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QX5 Thrombin Inhibition by Pyridin Derivatives | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2UUK Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [18] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2BVS Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [19] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETKGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RMO Human Thrombin in complex with MI004 | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5MJT Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [20] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDSCEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3P17 Thrombin Inhibition by Pyridin Derivatives | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3T5F Human Thrombin In Complex With MI340 | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3U98 Human Thrombin In Complex With MI001 | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [21] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5JFD Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [16] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZFF Exploring Thrombin S1-pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [22] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C5N STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [23] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3D49 Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [24] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQF
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3UWJ Human Thrombin In Complex With MI353 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4YES Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [25] |
| PDB Sequence |
IVEGSDAEIG
373 MSPWQVMLFR383 KSPQELLCGA393 SLISDRWVLT403 AAHCLLYPPW413 DKNFTENDLL 423 VRIGKHSRTR433 YERNIEKISM443 LEKIYIHPRY453 NWRENLDRDI463 ALMKLKKPVA 473 FSDYIHPVCL483 PDRETAASLL493 QAGYKGRVTG503 WGNLKETGQP520 SVLQVVNLPI 530 VERPVCKDST540 RIRITDNMFC550 AGYKPDEGKR560 GDACEGDSGG570 PFVMKSPFNN 580 RWYQMGIVSW590 GEGCDRDGKY600 GFYTHVFRLK610 KWIQKVIDQF620 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:384 or .B:423 or .B:434 or .B:439 or .B:440 or .B:441 or .B:443; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3RLY Human Thrombin in complex with MI329 | ||||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3QTO Thrombin Inhibition by Pyridin Derivatives | ||||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3SHA Human Thrombin In Complex With UBTHR97 | ||||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3EQ0 Thrombin Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [26] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVID
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RML Human Thrombin in complex with MI331 | ||||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3SI3 Human Thrombin In Complex With UBTHR103 | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3UTU High affinity inhibitor of human thrombin | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [27] |
| PDB Sequence |
VEGSDAEIGM
26 SPWQVMLFRK36 SPQELLCGAS45 LISDRWVLTA55 AHCLLYPPWD60E KNFTENDLLV 66 RIGKHSRTRY76 ERNIEKISML85 EKIYIHPRYN95 WRENLDRDIA104 LMKLKKPVAF 114 SDYIHPVCLP124 DRETAASLLQ131 AGYKGRVTGW141 GNLKEGQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1O2G Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [28] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZC9 Thrombin in complex with Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RMM Human Thrombin in complex with MI332 | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3U9A Human Thrombin In Complex With MI330 | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [30] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1AHT CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [31] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZGB Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [32] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3DUX Understanding Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4LXB Crystal Structure Analysis of thrombin in complex with compound D58 | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [33] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5MLS Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [34] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDSCEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QTV Thrombin Inhibition by Pyridin Derivatives | ||||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZI2 Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [32] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZIQ Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [35] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3RLW Human Thrombin in complex with MI328 | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2JH0 Human Thrombin Hirugen Inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [36] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .D:36 or .D:65 or .D:76 or .D:80 or .D:81 or .D:82 or .D:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZO3 Bisphenylic Thrombin Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZDV Exploring Thrombin S1 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [37] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZDA Exploring Thrombin S1 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3DHK Bisphenylic Thrombin Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C1U RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [38] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP157 SVLQVVNLPI 167 VERPVCKDST177 RIRITDNMFC187 AGYKPDEGKR193 GDACEGDSGG203 PFVMKSPFNN 211 RWYQMGIVSW221 GEGCDRDGKY231 GFYTHVFRLK241 KWIQKVIDQF251 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:78 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1O5G Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [39] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZG0 Exploring thrombin S3 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [40] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQF
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3F68 Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QWC Thrombin Inhibition by Pyridin Derivatives | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3RMN Human Thrombin in complex with MI341 | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [14] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1A4W CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [41] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQ
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1AY6 THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [42] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1BA8 THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [43] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:77A or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QBV CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [44] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQF
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1TOM ALPHA-THROMBIN COMPLEXED WITH HIRUGEN | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [45] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZFQ Exploring thrombin S3 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [46] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZGX Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZNK Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [32] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2BXT Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [47] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWKG150 QPSVLQVVNL 160 PIVERPVCKD170 STRIRITDNM180 FCAGYKPDEG186C KRGDACEGDS195 GGPFVMKSPF 204A NNRWYQMGIV213 SWGEGCDRDG223 KYGFYTHVFR233 LKKWIQKVID243 QFG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6EO9 Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [48] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1AI8 HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [49] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETKGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 F |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZFR Exploring thrombin S3 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [50] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1K21 HUMAN THROMBIN-INHIBITOR COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [51] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4BAN Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [52] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETWGQ186 PSVLQVVNLP 196 IVERPVCKDS206 TRIRITDNMF216 CAGYKPDEGK226 RGDACEGDSG236 GPFVMKSPFN 246 NRWYQMGIVS256 WGEGCDRDGK266 YGFYTHVFRL276 KKWIQKVIDQ286 F |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4BAO Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [52] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETWGQ186 PSVLQVVNLP 196 IVERPVCKDS206 TRIRITDNMF216 CAGYKPDEGK226 RGDACEGDSG236 GPFVMKSPFN 246 NRWYQMGIVS256 WGEGCDRDGK266 YGFYTHVFRL276 KKWIQKVIDQ286 F |
|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4BAM Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [52] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETWGQ186 PSVLQVVNLP 196 IVERPVCKDS206 TRIRITDNMF216 CAGYKPDEGK226 RGDACEGDSG236 GPFVMKSPFN 246 NRWYQMGIVS256 WGEGCDRDGK266 YGFYTHVFRL276 KKWIQKVIDQ286 F |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4BAQ Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [52] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETWGQ186 PSVLQVVNLP 196 IVERPVCKDS206 TRIRITDNMF216 CAGYKPDEGK226 RGDACEGDSG236 GPFVMKSPFN 246 NRWYQMGIVS256 WGEGCDRDGK266 YGFYTHVFRL276 KKWIQKVIDQ286 F |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C1W RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [38] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP157 SVLQVVNLPI 167 VERPVCKDST177 RIRITDNMFC187 AGYKPDEGKR193 GDACEGDSGG203 PFVMKSPFNN 211 RWYQMGIVSW221 GEGCDRDGKY231 GFYTHVFRLK241 KWIQKVIDQF251 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:78 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C5O STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [23] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:78 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1G32 THROMBIN INHIBITOR COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [53] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1NO9 Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies. | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [54] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3SHC Human Thrombin In Complex With UBTHR101 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [15] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1K22 HUMAN THROMBIN-INHIBITOR COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [51] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4BAH Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [52] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETWGQ186 PSVLQVVNLP 196 IVERPVCKDS206 TRIRITDNMF216 CAGYKPDEGK226 RGDACEGDSG236 GPFVMKSPFN 246 NRWYQMGIVS256 WGEGCDRDGK266 YGFYTHVFRL276 KKWIQKVIDQ286 FGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4BAK Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [52] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETWGQ186 PSVLQVVNLP 196 IVERPVCKDS206 TRIRITDNMF216 CAGYKPDEGK226 RGDACEGDSG236 GPFVMKSPFN 246 NRWYQMGIVS256 WGEGCDRDGK266 YGFYTHVFRL276 KKWIQKVIDQ286 F |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6EO8 Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [48] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQ
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2C8W thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [55] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZHQ Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [32] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C1V RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [38] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP157 SVLQVVNLPI 167 VERPVCKDST177 RIRITDNMFC187 AGYKPDEGKR193 GDACEGDSGG203 PFVMKSPFNN 211 RWYQMGIVSW221 GEGCDRDGKY231 GFYTHVFRLK241 KWIQKVIDQF251 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZHF Exploring thrombin S3 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [56] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQF
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1MU6 Crystal Structure of Thrombin in Complex with L-378,622 | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [57] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1AD8 COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [58] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75A YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1AE8 HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [59] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1AFE HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [59] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1BCU ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [60] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQF
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:77A or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1G30 THROMBIN INHIBITOR COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [53] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1MU8 thrombin-hirugen_l-378,650 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [57] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1MUE Thrombin-Hirugen-L405,426 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [61] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QJ1 Novel Covalent Active Site Thrombin Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [62] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184 KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1T4U Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [63] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKEGQPS188 VLQVVNLPIV 198 ERPVCKDSTR208 IRITDNMFCA218 GYKPDEGKRG228 DACEGDSGGP238 FVMKSPFNNR 248 WYQMGIVSWG258 EGCDRDGKYG268 FYTHVFRLKK278 WIQKVIDQF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:57 or .H:96 or .H:107 or .H:110 or .H:112 or .H:113 or .H:114 or .H:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1T4V Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [63] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKEGQPS188 VLQVVNLPIV 198 ERPVCKDSTR208 IRITDNMFCA218 GYKPDEGKRG228 DACEGDSGGP238 FVMKSPFNNR 248 WYQMGIVSWG258 EGCDRDGKYG268 FYTHVFRLKK278 WIQKVIDQF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:57 or .H:96 or .H:107 or .H:110 or .H:112 or .H:113 or .H:114 or .H:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1UMA ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [64] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2GDE Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [65] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1WAY Active site thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [66] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZHW Exploring thrombin S3 pocket | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [67] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQF
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1A5G HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [68] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1B5G HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [68] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D4P CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [69] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETGQP193 SVLQVVNLPI 203 VERPVCKDST213 RIRITDNMFC223 AGYKPDEGKR233 GDACEGDSGG243 PFVMKSPFNN 253 RWYQMGIVSW263 GEGCDRDGKY273 GFYTHVFRLK283 KWIQKVIDQF293 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1AIX HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [49] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETKGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 F |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1BB0 THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [43] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KPQELLCGAS45 LISDRWVLTA55 AHCLLYPPWD60E KNFTENDLLV 66 RIGKHSRTRY76 ERNIEKISML85 EKIYIHPRYN95 WRENLDRDIA104 LMKLKKPVAF 114 SDYIHPVCLP124 DRETAASLLQ131 AGYKGRVTGW141 GNLKEGQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C4U SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .2:65 or .2:76 or .2:77A or .2:80 or .2:81 or .2:82 or .2:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C4V SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .2:36 or .2:65 or .2:76 or .2:77A or .2:80 or .2:81 or .2:82 or .2:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1CA8 Thrombin inhibitors with rigid tripeptidyl aldehydes | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [43] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KPQELLCGAS45 LISDRWVLTA55 AHCLLYPPWD60E KNFTENDLLV 66 RIGKHSRTRY76 ERNIEKISML85 EKIYIHPRYN95 WRENLDRDIA104 LMKLKKPVAF 114 SDYIHPVCLP124 DRETAASLLQ131 AGYKGRVTGW141 GNLKETQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D3P CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [70] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETGQP193 SVLQVVNLPI 203 VERPVCKDST213 RIRITDNMFC223 AGYKPDEGKR233 GDACEGDSGG243 PFVMKSPFNN 253 RWYQMGIVSW263 GEGCDRDGKY273 GFYTHVFRLK283 KWIQKVIDQF293 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1KTT Thrombin inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [71] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2ZHE Exploring thrombin S3 pocket | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [72] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1A46 THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [68] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2C8Z thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [55] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2C8X thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [55] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1A61 THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [68] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1AWF NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [73] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184 KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QHR NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [62] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184 KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QJ6 Novel Covalent Active Site Thrombin Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [62] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184 KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QJ7 Novel Covalent Active Site Thrombin Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [62] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184 KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1WBG Active site thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [66] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCRDDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2C8Y thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [55] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2C93 thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [55] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZF0 Exploring Thrombin S1 Pocket | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [74] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3EGK KNOBLE Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [75] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEQPSV154 LQVVNLPIVE 164 RPVCKDSTRI174 RITDNMFCAG184 YKPDEGKRGD189 ACEGDSGGPF199 VMKSPFNNRW 207 YQMGIVSWGE217 GCDRDGKYGF227 YTHVFRLKKW237 IQKVIDQFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2JH6 Human Thrombin Hirugen Inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [36] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .D:36 or .D:65 or .D:76 or .D:80 or .D:81 or .D:82 or .D:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2C90 thrombin inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [55] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZFP Thrombin Inibition | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [29] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4E7R Thrombin in complex with 3-amidinophenylalanine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [76] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1FPC ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [77] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQ
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1TBZ HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [41] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 E |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1KTS Thrombin Inhibitor Complex | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [71] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 GE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:36 or .B:65 or .B:76 or .B:80 or .B:81 or .B:82 or .B:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3DT0 Understanding Thrombin Inhibition | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [78] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2JH5 Human Thrombin Hirugen Inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [36] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .D:36 or .D:65 or .D:76 or .D:80 or .D:81 or .D:82 or .D:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1HDT STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [79] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184A KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1P8V CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [80] |
| PDB Sequence |
IVEGSDAEIG
10 MSPWQVMLFR20 KSPQELLCGA30 SLISDRWVLT40 AAHCLLYPPW50 DKNFTENDLL 60 VRIGKHSRTR70 YERNIEKISM80 LEKIYIHPRY90 NWRENLDRDI100 ALMKLKKPVA 110 FSDYIHPVCL120 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS158 VLQVVNLPIV 168 ERPVCKDSTR178 IRITDNMFCA188 GYKPDEGKRG198 DACEGDSGGP208 FVMKSPFNNR 218 WYQMGIVSWG228 EGCDRDGKYG238 FYTHVFRLKK248 WIQKVIDQFG258 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .C:87 or .C:88 or .C:89 or .C:98 or .C:123 or .C:244 or .C:245 or .C:247 or .C:248 or .C:249 or .C:252; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1C4Y SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [4] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A GQPSVLQVVN 159 LPIVERPVCK169 DSTRIRITDN179 MFCAGYKPDE186B GKRGDACEGD194 SGGPFVMKSP 204 FNNRWYQMGI212 VSWGEGCDRD222 GKYGFYTHVF232 RLKKWIQKVI242 DQFG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .2:36 or .2:65 or .2:76 or .2:80 or .2:81 or .2:82 or .2:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2BXU Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [47] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWKG150 QPSVLQVVNL 160 PIVERPVCKD170 STRIRITDNM180 FCAGYKPDEG186C KRGDACEGDS195 GGPFVMKSPF 204A NNRWYQMGIV213 SWGEGCDRDG223 KYGFYTHVFR233 LKKWIQKVID243 QFG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D3Q CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [70] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETGQP193 SVLQVVNLPI 203 VERPVCKDST213 RIRITDNMFC223 AGYKPDEGKR233 GDACEGDSGG243 PFVMKSPFNN 253 RWYQMGIVSW263 GEGCDRDGKY273 GFYTHVFRLK283 KWIQKVIDQF293 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D3T CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [70] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETGQP193 SVLQVVNLPI 203 VERPVCKDST213 RIRITDNMFC223 AGYKPDEGKR233 GDACEGDSGG243 PFVMKSPFNN 253 RWYQMGIVSW263 GEGCDRDGKY273 GFYTHVFRLK283 KWIQKVIDQF293 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2BVX Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [47] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWKG150 QPSVLQVVNL 160 PIVERPVCKD170 STRIRITDNM180 FCAGYKPDEG186C KRGDACEGDS195 GGPFVMKSPF 204A NNRWYQMGIV213 SWGEGCDRDG223 KYGFYTHVFR233 LKKWIQKVID243 QFG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3PMH Mechanism of Sulfotyrosine-Mediated Glycoprotein Ib Interaction with Two Distinct alpha-Thrombin Sites | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [81] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWTA149A NVGKGQPSVL 155 QVVNLPIVER165 PVCKDSTRIR175 ITDNMFCAGY184A KPDEGKRGDA190 CEGDSGGPFV 200 MKSPFNNRWY208 QMGIVSWGEG219 CDRDGKYGFY228 THVFRLKKWI238 QKVIDQFGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:35 or .B:37 or .B:39 or .B:60E or .B:60D or .B:147 or .B:148 or .B:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5AFY Thrombin in complex with 3-chloro-benzamide | ||||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UE7 Thrombin in complex with 1-amidinopiperidine | ||||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UDW Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UEH Thrombin in complex with benzamidine | ||||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5AF9 Thrombin in complex with 4-Methoxy-N-(2-pyridinyl)benzamide | ||||||
| Method | X-ray diffraction | Resolution | 1.18 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5AHG Thrombin in complex with ((4-chlorophenyl)sulfamoyl))diemethylamine | ||||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5A2M Thrombin Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [82] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UFD Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [83] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5AFZ Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-propyl)-3-phenyl-propanamide | ||||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [13] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UFF Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [83] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UFE Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [83] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UFG Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [83] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GJ5 SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [84] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:78 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GJ4 SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [84] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:78 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1SB1 Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [85] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEGQPS153 VLQVVNLPIV 163 ERPVCKDSTR173 IRITDNMFCA183 GYKPDEGKRG188 DACEGDSGGP198 FVMKSPFNNR 206 WYQMGIVSWG216 EGCDRDGKYG226 FYTHVFRLKK236 WIQKVIDQFG246 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GHX A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [86] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GHW A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [86] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:78 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4LOY Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375) | ||||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [33] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YPJ Thrombin Inhibitor Complex | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [87] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 F |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YPK Thrombin Inhibitor Complex | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [87] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YPG Thrombin Inhibitor Complex | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [87] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETKGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 F |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3BIV Human thrombin-in complex with UB-THR11 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [88] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YPE Thrombin Inhibitor Complex | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [87] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GHV A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [86] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:83 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GHY A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [86] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YPL X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [89] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YPM X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [89] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D3D CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4 | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [70] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKETGQP193 SVLQVVNLPI 203 VERPVCKDST213 RIRITDNMFC223 AGYKPDEGKR233 GDACEGDSGG243 PFVMKSPFNN 253 RWYQMGIVSW263 GEGCDRDGKY273 GFYTHVFRLK283 KWIQKVIDQF293 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3BIU Human thrombin-in complex with UB-THR10 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [88] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1H8I X-ray crystal structure of human alpha-thrombin with a tripeptide phosphonate inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [12] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETWGQ151 PSVLQVVNLP 161 IVERPVCKDS171 TRIRITDNMF181 CAGYKPDEGK186D RGDACEGDSG196 GPFVMKSPFN 204B NRWYQMGIVS214 WGEGCDRDGK224 YGFYTHVFRL234 KKWIQKVIDQ244 FGE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2BVR Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [90] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKEKGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 G |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .H:36 or .H:65 or .H:76 or .H:80 or .H:81 or .H:82 or .H:84; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3PO1 Thrombin in complex with Benzothiazole Guanidine | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [91] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKET
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1RIW Thrombin in complex with natural product inhibitor Oscillarin | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [92] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKET
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2PKS Thrombin in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [93] |
| PDB Sequence |
IVEGSDAEIG
46 MSPWQVMLFR56 KSPQELLCGA66 SLISDRWVLT76 AAHCLLYPPW86 DKNFTENDLL 96 VRIGKHSRTR106 YERNIEKISM116 LEKIYIHPRY126 NWRENLDRDI136 ALMKLKKPVA 146 FSDYIHPVCL156 PDRETAASLL166 QAGYKGRVTG176 WGNLKET
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .B:57 or .B:96 or .B:107 or .B:112 or .B:113 or .B:114 or .B:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop. Acta Crystallogr D Biol Crystallogr. 2000 Nov;56(Pt 11):1395-400. | ||||
| REF 2 | Nonbasic Thrombin Inhibitor Complex | ||||
| REF 3 | Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure. Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. | ||||
| REF 4 | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr D Biol Crystallogr. 2000 Mar;56(Pt 3):294-303. | ||||
| REF 5 | Design and synthesis of potent and selective macrocyclic thrombin inhibitors. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2781-4. | ||||
| REF 6 | P2 pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold. Bioorg Med Chem Lett. 2005 Jun 2;15(11):2771-5. | ||||
| REF 7 | Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. J Med Chem. 2004 Jun 3;47(12):2995-3008. | ||||
| REF 8 | Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles. Bioorg Med Chem Lett. 2008 Mar 15;18(6):2062-6. | ||||
| REF 9 | Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position. J Med Chem. 1998 Aug 13;41(17):3210-9. | ||||
| REF 10 | 9-hydroxyazafluorenes and their use in thrombin inhibitors. J Med Chem. 2005 Apr 7;48(7):2282-93. | ||||
| REF 11 | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4411-6. | ||||
| REF 12 | Inhibition of human alpha-thrombin by a phosphonate tripeptide proceeds via a metastable pentacoordinated phosphorus intermediate. J Mol Biol. 2001 Aug 17;311(3):549-55. | ||||
| REF 13 | Fragment Binding Can Be Either More Enthalpy-Driven or Entropy-Driven: Crystal Structures and Residual Hydration Patterns Suggest Why. J Med Chem. 2015 Sep 10;58(17):6960-71. | ||||
| REF 14 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect. J Med Chem. 2012 Jul 12;55(13):6094-110. | ||||
| REF 15 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin. J Mol Biol. 2012 May 18;418(5):350-66. | ||||
| REF 16 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J Med Chem. 2019 Nov 14;62(21):9753-9771. | ||||
| REF 17 | Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | ||||
| REF 18 | The determination of protonation states in proteins. Acta Crystallogr D Biol Crystallogr. 2007 Aug;63(Pt 8):906-22. | ||||
| REF 19 | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening | ||||
| REF 20 | Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide | ||||
| REF 21 | Thrombin Inhibition | ||||
| REF 22 | Exploring Thrombin S1-pocket | ||||
| REF 23 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol. 2000 Apr;7(4):299-312. | ||||
| REF 24 | Understanding Thrombin Inhibition | ||||
| REF 25 | Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement. ACS Med Chem Lett. 2015 Mar 13;6(5):553-7. | ||||
| REF 26 | Thrombin Inhibition | ||||
| REF 27 | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling. ChemMedChem. 2012 Nov;7(11):1965-73. | ||||
| REF 28 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J Mol Biol. 2003 May 23;329(1):93-120. | ||||
| REF 29 | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. J Mol Biol. 2009 Aug 21;391(3):552-64. | ||||
| REF 30 | Thrombin Inhibition | ||||
| REF 31 | Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution. Arch Biochem Biophys. 1995 Sep 10;322(1):198-203. | ||||
| REF 32 | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. J Mol Biol. 2010 Apr 9;397(4):1042-54. | ||||
| REF 33 | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor. J Med Chem. 2013 Dec 12;56(23):9441-56. | ||||
| REF 34 | Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | ||||
| REF 35 | Understanding Thrombin Inhibition | ||||
| REF 36 | Sulfonamide-related conformational effects and their importance in structure-based design. Bioorg Med Chem Lett. 2007 May 15;17(10):2931-4. | ||||
| REF 37 | Exploring Thrombin S1 pocket | ||||
| REF 38 | Design of potent selective zinc-mediated serine protease inhibitors. Nature. 1998 Feb 5;391(6667):608-12. | ||||
| REF 39 | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J Mol Biol. 2004 Nov 19;344(2):527-47. | ||||
| REF 40 | Exploring thrombin S3 pocket | ||||
| REF 41 | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site. Biophys J. 1996 Nov;71(5):2830-9. | ||||
| REF 42 | Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A. Proc Natl Acad Sci U S A. 1993 Sep 1;90(17):8048-52. | ||||
| REF 43 | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry. 1998 Sep 1;37(35):12094-103. | ||||
| REF 44 | Structural analysis of thrombin complexed with potent inhibitors incorporating a phenyl group as a peptide mimetic and aminopyridines as guanidine substitutes. J Med Chem. 1998 Jun 4;41(12):2068-75. | ||||
| REF 45 | Synthesis, evaluation, and crystallographic analysis of L-371,912: A potent and selective active-site thrombin inhibitor. | ||||
| REF 46 | Exploring thrombin S3 pocket | ||||
| REF 47 | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker. doi:10.2174/157018006777574203. | ||||
| REF 48 | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties. J Med Chem. 2014 Oct 23;57(20):8563-75. | ||||
| REF 49 | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships. Protein Sci. 1992 Apr;1(4):426-71. | ||||
| REF 50 | Exploring thrombin S3 pocket | ||||
| REF 51 | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J Mol Biol. 2001 Oct 26;313(3):593-614. | ||||
| REF 52 | Identification of structural-kinetic and structural-thermodynamic relationships for thrombin inhibitors. Biochemistry. 2013 Jan 29;52(4):613-26. | ||||
| REF 53 | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Structure. 2001 Jan 10;9(1):29-37. | ||||
| REF 54 | Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies. Biochemistry. 2003 Aug 5;42(30):9013-21. | ||||
| REF 55 | Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors. J Med Chem. 2006 Feb 23;49(4):1346-55. | ||||
| REF 56 | Exploring thrombin S3 pocket | ||||
| REF 57 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J Med Chem. 2003 Feb 13;46(4):461-73. | ||||
| REF 58 | Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety. Biochemistry. 1997 Feb 4;36(5):1034-40. | ||||
| REF 59 | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study. J Mol Biol. 1997 Jun 20;269(4):558-69. | ||||
| REF 60 | X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin. FEBS Lett. 1998 Mar 27;425(2):229-33. | ||||
| REF 61 | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg Med Chem Lett. 2003 Apr 7;13(7):1353-7. | ||||
| REF 62 | Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template. Biochemistry. 1999 Jun 22;38(25):7969-77. | ||||
| REF 63 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis. Bioorg Med Chem Lett. 2004 Jul 16;14(14):3727-31. | ||||
| REF 64 | Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study. J Mol Biol. 1996 May 24;258(5):851-9. | ||||
| REF 65 | Total synthesis and structural confirmation of chlorodysinosin A. J Am Chem Soc. 2006 Aug 16;128(32):10491-5. | ||||
| REF 66 | Fragment-based lead discovery using X-ray crystallography. J Med Chem. 2005 Jan 27;48(2):403-13. | ||||
| REF 67 | Exploring thrombin S3 pocket | ||||
| REF 68 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J Med Chem. 1999 Apr 22;42(8):1376-83. | ||||
| REF 69 | The crystal structure of human alpha-thrombin complexed with LY178550, a nonpeptidyl, active site-directed inhibitor. Protein Sci. 1997 Jul;6(7):1412-7. | ||||
| REF 70 | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors. Protein Sci. 2000 Jan;9(1):29-36. | ||||
| REF 71 | Structure-based design of novel potent nonpeptide thrombin inhibitors. J Med Chem. 2002 Apr 25;45(9):1757-66. | ||||
| REF 72 | Exploring thrombin S3 pocket | ||||
| REF 73 | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry. 1998 May 12;37(19):6645-57. | ||||
| REF 74 | Exploring Thrombin S1 pocket | ||||
| REF 75 | KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding. Angew Chem Int Ed Engl. 2007;46(47):9105-9. | ||||
| REF 76 | New 3-amidinophenylalanine-derived inhibitors of matriptase. doi:10.1039/C2MD20074K. | ||||
| REF 77 | Active-site mimetic inhibition of thrombin. Acta Crystallogr D Biol Crystallogr. 1995 Jul 1;51(Pt 4):550-9. | ||||
| REF 78 | Understanding Thrombin Inhibition | ||||
| REF 79 | Structure of a retro-binding peptide inhibitor complexed with human alpha-thrombin. J Mol Biol. 1995 Feb 10;246(1):14-20. | ||||
| REF 80 | Crystal structure of the GpIbalpha-thrombin complex essential for platelet aggregation. Science. 2003 Jul 11;301(5630):222-6. | ||||
| REF 81 | Binding of alpha-thrombin to surface-anchored platelet glycoprotein Ib(alpha) sulfotyrosines through a two-site mechanism involving exosite I. Proc Natl Acad Sci U S A. 2011 May 24;108(21):8628-33. | ||||
| REF 82 | Thrombin Inhibition | ||||
| REF 83 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. ChemMedChem. 2016 Feb 4;11(3):309-19. | ||||
| REF 84 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem Biol. 2001 Nov;8(11):1107-21. | ||||
| REF 85 | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics. Eur J Med Chem. 2004 Mar;39(3):257-65. | ||||
| REF 86 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J Mol Biol. 2001 Apr 13;307(5):1451-86. | ||||
| REF 87 | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates. Angew Chem Int Ed Engl. 2006 Jan 30;45(6):985-9. | ||||
| REF 88 | Thermodynamic inhibition profile of a cyclopentyl and a cyclohexyl derivative towards thrombin: the same but for different reasons. Angew Chem Int Ed Engl. 2007;46(44):8511-4. | ||||
| REF 89 | Design and X-ray crystal structures of human thrombin with synthetic cyanopeptide-analogues. Pharmazie. 2007 Feb;62(2):83-8. | ||||
| REF 90 | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening. doi:10.2174/157018005774717343. | ||||
| REF 91 | Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4839-43. | ||||
| REF 92 | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin. J Am Chem Soc. 2004 May 19;126(19):6064-71. | ||||
| REF 93 | Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold. Org Biomol Chem. 2007 Aug 21;5(16):2599-605. | ||||
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