Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02001 | Target Info | |||
| Target Name | Phosphodiesterase 4D (PDE4D) | ||||
| Synonyms | cAMP-specific 3',5'-cyclic phosphodiesterase 4D; PDE43; DPDE3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PDE4D | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Apremilast | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain in complex with Apremilast | PDB:7CBQ | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [1] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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TYR159
3.752
HIS160
3.156
SER208
3.901
THR271
4.213
MET273
3.064
ASP318
3.392
LEU319
3.853
ASN321
3.666
TYR329
4.237
TRP332
3.984
THR333
3.770
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| Ligand Name: Roflumilast | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast | PDB:1XOQ | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [2] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Papaverine | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. | PDB:3IAK | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [3] |
| PDB Sequence |
MTEQEDVLAK
94 ELEDVNKWGL104 HVFRIAELSG114 NRPLTVIMHT124 IFQERDLLKT134 FKIPVDTLIT 144 YLMTLEDHYH154 ADVAYHNNIH164 AADVVQSTHV174 LLSTPALEAV184 FTDLEILAAI 194 FASAIHDVDH204 PGVSNQFLIN214 TNSELALMYN224 DSSVLENHHL234 AVGFKLLQEE 244 NCDIFQNLTK254 KQRQSLRKMV264 IDIVLATDMS274 KHMNLLADLK284 TMVETKKVTS 294 SGVLLLDNYS304 DRIQVLQNMV314 HCADLSNPTK324 PLQLYRQWTD334 RIMEEFFRQG 344 DRERERGMEI354 SPMCDKHNAS364 VEKSQVGFID374 YIVHPLWETW384 ADLVHPDAQD 394 ILDTLEDNRE404 WYQST
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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 .EV1 or .EV12 or .EV13 or :3EV1;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:276 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With AMP | PDB:1TB7 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [4] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVVLLL 300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF340 FRQGDRERER 350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP390 DAQDILDTLE 400 DNREWYQSTI410 P
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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 .AMP or .AMP2 or .AMP3 or :3AMP;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:204 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR159
3.889
HIS160
2.346
HIS164
3.235
HIS200
4.387
ASP201
3.139
HIS204
4.092
THR271
4.646
MET273
3.780
ASP318
3.099
LEU319
3.388
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: BPN14770 | Ligand Info | |||||
| Structure Description | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | PDB:6NJJ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [5] |
| PDB Sequence |
QEDVLAKELE
263 DVNKWGLHVF273 RIAELSGNRP283 LTVIMHTIFQ293 ERDLLKTFKI303 PVDTLITYLM 313 TLEDHYHADV323 AYHNNIHAAD333 VVQSTHVLLS343 TPALEAVFTD353 LEILAAIFAS 363 AIHDVDHPGV373 SNQFLINTNS383 ELALMYNDSS393 VLENHHLAVG403 FKLLQEENCD 413 IFQNLTKKQR423 QSLRKMVIDI433 VLATDMSKHM443 NLLADLKTMV453 ETKKVTVLLL 466 DNYSDRIQVL476 QNMVHCADLS486 NPTKPLQLYR496 QWTDRIMEEF506 FRQGDRERER 516 GMEISPMCDK526 HNASVEKSQV536 GFIDYIVHPL546 WETWADLVHP556 DAQDILDTLE 566 DNREWYQSTI576 PNQVSEFISN602 TFLD
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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 .KR7 or .KR72 or .KR73 or :3KR7;style chemicals stick;color identity;select .A:325 or .A:326 or .A:374 or .A:439 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:523 or .A:534 or .A:535 or .A:538 or .A:596 or .A:599 or .A:600 or .A:603 or .A:604; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR325
3.619
HIS326
3.887
SER374
4.388
MET439
3.216
LEU485
4.394
ASN487
3.027
PRO488
3.805
TYR495
3.515
TRP498
3.515
THR499
3.015
ILE502
3.557
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| Ligand Name: Piclamilast | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Piclamilast | PDB:1XON | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [2] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVVLL 299 LDNYSDRIQV309 LQNMVHCADL319 SNPTKPLQLY329 RQWTDRIMEE339 FFRQGDRERE 349 RGMEISPMCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH389 PDAQDILDTL 399 EDNREWYQST409 IP
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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 .PIL or .PIL2 or .PIL3 or :3PIL;style chemicals stick;color identity;select .A:159 or .A:160 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RS-25344 | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4d with d155871 | PDB:3G4I | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [6] |
| PDB Sequence |
FGVKTEQEDV
257 LAKELEDVNK267 WGLHVFRIAE277 LSGNRPLTVI287 MHTIFQERDL297 LKTFKIPVDT 307 LITYLMTLED317 HYHADVAYHN327 NIHAADVVQS337 THVLLSTPAL347 EAVFTDLEIL 357 AAIFASAIHD367 VDHPGVSNQF377 LINTNSELAL387 MYNDSSVLEN397 HHLAVGFKLL 407 QEENCDIFQN417 LTKKQRQSLR427 KMVIDIVLAT437 DMSKHMNLLA447 DLKTMVETKK 457 VTSSGVLLLD467 NYSDRIQVLQ477 NMVHCADLSN487 PTKPLQLYRQ497 WTDRIMEEFF 507 RQGDRERERG517 MEISPMCDKH527 NASVEKSQVG537 FIDYIVHPLW547 ETWADLVHPD 557 AQDILDTLED567 NREWYQSTIP577 Q
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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 .D71 or .D712 or .D713 or :3D71;style chemicals stick;color identity;select .A:325 or .A:326 or .A:439 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:523 or .A:534 or .A:535 or .A:537 or .A:538 or .A:542; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-(3-Nitro-phenyl)-6-pyridin-4-ylmethyl-quinoline | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4d with d155988/pmnpq | PDB:3G58 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [6] |
| PDB Sequence |
SIPRFGVKTE
253 QEDVLAKELE263 DVNKWGLHVF273 RIAELSGNRP283 LTVIMHTIFQ293 ERDLLKTFKI 303 PVDTLITYLM313 TLEDHYHADV323 AYHNNIHAAD333 VVQSTHVLLS343 TPALEAVFTD 353 LEILAAIFAS363 AIHDVDHPGV373 SNQFLINTNS383 ELALMYNDSS393 VLENHHLAVG 403 FKLLQEENCD413 IFQNLTKKQR423 QSLRKMVIDI433 VLATDMSKHM443 NLLADLKTMV 453 ETKKVTSSGV463 LLLDNYSDRI473 QVLQNMVHCA483 DLSNPTKPLQ493 LYRQWTDRIM 503 EEFFRQGDRE513 RERGMEISPM523 CDKHNASVEK533 SQVGFIDYIV543 HPLWETWADL 553 VHPDAQDILD563 TLEDNREWYQ573 STIPQ
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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 .988 or .9882 or .9883 or :3988;style chemicals stick;color identity;select .A:325 or .A:326 or .A:439 or .A:485 or .A:487 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:523 or .A:534 or .A:535 or .A:537 or .A:538 or .A:542; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Zardaverine | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine | PDB:1XOR | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [2] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTVLLL 300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF340 FRQGDRERER 350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP390 DAQDILDTLE 400 DNREWYQSTI410 P
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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 .ZAR or .ZAR2 or .ZAR3 or :3ZAR;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cilomilast | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Cilomilast | PDB:1XOM | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [2] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .CIO or .CIO2 or .CIO3 or :3CIO;style chemicals stick;color identity;select .A:159 or .A:160 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Isobutylmethylxanthine | Ligand Info | |||||
| Structure Description | Structure of PDE4D2-IBMX | PDB:1ZKN | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
IPRFGVKTEQ
88 EDVLAKELED98 VNKWGLHVFR108 IAELSGNRPL118 TVIMHTIFQE128 RDLLKTFKIP 138 VDTLITYLMT148 LEDHYHADVA158 YHNNIHAADV168 VQSTHVLLST178 PALEAVFTDL 188 EILAAIFASA198 IHDVDHPGVS208 NQFLINTNSE218 LALMYNDSSV228 LENHHLAVGF 238 KLLQEENCDI248 FQNLTKKQRQ258 SLRKMVIDIV268 LATDMSKHMN278 LLADLKTMVE 288 TKKVTSSGVL298 LLDNYSDRIQ308 VLQNMVHCAD318 LSNPTKPLQL328 YRQWTDRIME 338 EFFRQGDRER348 ERGMEISPMC358 DKHNASVEKS368 QVGFIDYIVH378 PLWETWADLV 388 HPDAQDILDT398 LEDNREWYQS408 TIPQ
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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 .IBM or .IBM2 or .IBM3 or :3IBM;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Rolipram | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram | PDB:1TBB | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [4] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTVLLL 300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF340 FRQGDRERER 350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP390 DAQDILDTLE 400 DNREWYQSTI410 P
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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 .ROL or .ROL2 or .ROL3 or :3ROL;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [3H]cAMP | Ligand Info | |||||
| Structure Description | Structure of the PDE4D-cAMP complex | PDB:2PW3 | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | Yes | [8] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHNVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIPQ
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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 .CMP or .CMP2 or .CMP3 or :3CMP;style chemicals stick;color identity;select .A:159 or .A:160 or .A:201 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D2 in complex with inhibitor (S_Zl-n-91) | PDB:5WH6 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [9] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .AKJ or .AKJ2 or .AKJ3 or :3AKJ;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R,4S)-6-ethyl-2-[(2E)-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with compound 23a | PDB:7XBB | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [10] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STI
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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 .B6V or .B6V2 or .B6V3 or :3B6V;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR159
3.510
HIS160
2.599
HIS164
2.792
HIS200
4.411
ASP201
3.058
MET273
3.783
ASP318
3.357
LEU319
4.049
ASN321
3.278
TYR329
4.131
|
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| Ligand Name: (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with compound 17a | PDB:7F2K | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [11] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 ST
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0X8 or .0X82 or .0X83 or :30X8;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:204 or .A:208 or .A:273 or .A:274 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.678
HIS160
2.831
HIS164
3.071
HIS200
4.577
ASP201
3.576
HIS204
4.848
SER208
4.449
MET273
3.640
SER274
4.698
ASP318
3.088
LEU319
3.532
|
|||||
| Ligand Name: (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with compound 18a | PDB:7F2L | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [11] |
| PDB Sequence |
VLAKELEDVN
100 KWGLHVFRIA110 ELSGNRPLTV120 IMHTIFQERD130 LLKTFKIPVD140 TLITYLMTLE 150 DHYHADVAYH160 NNIHAADVVQ170 STHVLLSTPA180 LEAVFTDLEI190 LAAIFASAIH 200 DVDHPGVSNQ210 FLINTNSELA220 LMYNDSSVLE230 NHHLAVGFKL240 LQEENCDIFQ 250 NLTKKQRQSL260 RKMVIDIVLA270 TDMSKHMNLL280 ADLKTMVETK290 KVTSSGVLLL 300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF340 FRQGDRERER 350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP390 DAQDILDTLE 400 DNREWYQSTI410
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1AS or .1AS2 or .1AS3 or :31AS;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:204 or .A:208 or .A:273 or .A:274 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.631
HIS160
2.550
HIS164
2.765
HIS200
4.425
ASP201
3.425
HIS204
4.849
SER208
4.697
MET273
3.728
SER274
4.622
ASP318
2.915
LEU319
3.741
ASN321
3.218
PRO322
3.570
|
|||||
| Ligand Name: (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with compound 18d | PDB:7F2M | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [11] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1GF or .1GF2 or .1GF3 or :31GF;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:273 or .A:276 or .A:315 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.573
HIS160
2.766
HIS164
3.103
HIS200
4.492
ASP201
3.299
MET273
3.502
HIS276
4.067
HIS315
4.837
ASP318
3.331
LEU319
3.550
ASN321
3.343
PRO322
3.693
TYR329
4.055
|
|||||
| Ligand Name: N-[(2r)-2,3-Dihydroxy-2-Methylpropyl]-8-(Methylamino)-6-[(2,3,5,6-Tetrafluorophenyl)amino]imidazo[1,2-B]pyridazine-3-Carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | PDB:5TKB | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | Yes | [12] |
| PDB Sequence |
VKTEQEDVLA
259 KELEDVNKWG269 LHVFRIAELS279 GNRPLTVIMH289 TIFQERDLLK299 TFKIPVDTLI 309 TYLMTLEDHY319 HADVAYHNNI329 HAADVVQSTH339 VLLSTPALEA349 VFTDLEILAA 359 IFASAIHDVD369 HPGVSNQFLI379 NTNSELALMY389 NDSSVLENHH399 LAVGFKLLQE 409 ENCDIFQNLT419 KKQRQSLRKM429 VIDIVLATDM439 SKHMNLLADL449 KTMVETKKVT 459 VLLLDNYSDR472 IQVLQNMVHC482 ADLSNPTKPL492 QLYRQWTDRI502 MEEFFRQGDR 512 ERERGMEISP522 MCDKHNASVE532 KSQVGFIDYI542 VHPLWETWAD552 LVHPDAQDIL 562 DTLEDNREWY572 QSTIPQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7DJ or .7DJ2 or .7DJ3 or :37DJ;style chemicals stick;color identity;select .A:325 or .A:326 or .A:437 or .A:439 or .A:484 or .A:485 or .A:487 or .A:495 or .A:498 or .A:499 or .A:502 or .A:506 or .A:523 or .A:534 or .A:535 or .A:538 or .A:542; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-{4-[(2-Fluoro-6-Methoxy-3'-Nitrobiphenyl-3-Yl)methyl]phenyl}urea | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D with bound allosteric modulator | PDB:3IAD | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [6] |
| PDB Sequence |
GVKTEQEDVL
258 AKELEDVNKW268 GLHVFRIAEL278 SGNRPLTVIM288 HTIFQERDLL298 KTFKIPVDTL 308 ITYLMTLEDH318 YHADVAYHNN328 IHAADVVQST338 HVLLSTPALE348 AVFTDLEILA 358 AIFASAIHDV368 DHPGVSNQFL378 INTNSELALM388 YNDSSVLENH398 HLAVGFKLLQ 408 EENCDIFQNL418 TKKQRQSLRK428 MVIDIVLATD438 MSKHMNLLAD448 LKTMVETKKV 458 TSSGVLLLDN468 YSDRIQVLQN478 MVHCADLSNP488 TKPLQLYRQW498 TDRIMEEFFR 508 QGDRERERGM518 EISPMCDKHN528 ASVEKSQVGF538 IDYIVHPLWE548 TWADLVHPDA 558 QDILDTLEDN568 REWYQSTNQV596 SEFISNTFLD606
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .15X or .15X2 or .15X3 or :315X;style chemicals stick;color identity;select .A:325 or .A:326 or .A:373 or .A:374 or .A:375 or .A:439 or .A:485 or .A:487 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:509 or .A:523 or .A:534 or .A:535 or .A:537 or .A:538 or .A:542 or .A:596 or .A:599 or .A:600 or .A:603 or .A:604; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
4.112
HIS326
3.629
VAL373
4.717
SER374
2.826
ASN375
4.904
MET439
3.855
LEU485
3.653
ASN487
3.844
TYR495
3.996
TRP498
4.717
THR499
3.813
ILE502
3.613
MET503
3.818
|
|||||
| Ligand Name: Pde4-IN-5 | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with 33a | PDB:7W4Y | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [13] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GO or .8GO2 or .8GO3 or :38GO;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with 17 | PDB:7W4X | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [13] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8G7 or .8G72 or .8G73 or :38G7;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:201 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48 | PDB:6NJH | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [5] |
| PDB Sequence |
QEDVLAKELE
263 DVNKWGLHVF273 RIAELSGNRP283 LTVIMHTIFQ293 ERDLLKTFKI303 PVDTLITYLM 313 TLEDHYHADV323 AYHNNIHAAD333 VVQSTHVLLS343 TPALEAVFTD353 LEILAAIFAS 363 AIHDVDHPGV373 SNQFLINTNS383 ELALMYNDSS393 VLENHHLAVG403 FKLLQEENCD 413 IFQNLTKKQR423 QSLRKMVIDI433 VLATDMSKHM443 NLLADLKTMV453 ETKKVTVLLL 466 DNYSDRIQVL476 QNMVHCADLS486 NPTKPLQLYR496 QWTDRIMEEF506 FRQGDRERER 516 GMEISPMCDK526 HNASVEKSQV536 GFIDYIVHPL546 WETWADLVHP556 DAQDILDTLE 566 DNREWYQSTI576 PNQVSEFISN602 TFLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KRD or .KRD2 or .KRD3 or :3KRD;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:374 or .A:439 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:505 or .A:506 or .A:523 or .A:534 or .A:535 or .A:538 or .A:596 or .A:599 or .A:600 or .A:603 or .A:604; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
4.135
HIS326
3.616
HIS370
4.619
SER374
3.850
MET439
3.886
LEU485
4.127
ASN487
3.324
PRO488
4.671
TYR495
3.944
TRP498
3.862
THR499
3.274
ILE502
3.857
|
|||||
| Ligand Name: 2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol | Ligand Info | |||||
| Structure Description | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49 | PDB:6NJI | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [5] |
| PDB Sequence |
EQEDVLAKEL
262 EDVNKWGLHV272 FRIAELSGNR282 PLTVIMHTIF292 QERDLLKTFK302 IPVDTLITYL 312 MTLEDHYHAD322 VAYHNNIHAA332 DVVQSTHVLL342 STPALEAVFT352 DLEILAAIFA 362 SAIHDVDHPG372 VSNQFLINTN382 SELALMYNDS392 SVLENHHLAV402 GFKLLQEENC 412 DIFQNLTKKQ422 RQSLRKMVID432 IVLATDMSKH442 MNLLADLKTM452 VETKKVTSSG 462 VLLLDNYSDR472 IQVLQNMVHC482 ADLSNPTKPL492 QLYRQWTDRI502 MEEFFRQGDR 512 ERERGMEISP522 MCDKHNASVE532 KSQVGFIDYI542 VHPLWETWAD552 LVHPDAQDIL 562 DTLEDNREWY572 QSTIPQNQVS597 EFISNTFLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KR4 or .KR42 or .KR43 or :3KR4;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:374 or .A:439 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:505 or .A:506 or .A:523 or .A:534 or .A:535 or .A:538 or .A:596 or .A:599 or .A:600 or .A:603 or .A:604; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
4.191
HIS326
3.829
HIS370
4.680
SER374
4.108
MET439
3.868
LEU485
3.958
ASN487
3.535
PRO488
4.805
TYR495
4.244
TRP498
3.727
THR499
3.308
ILE502
3.777
|
|||||
| Ligand Name: 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | PDB:6FW3 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [14] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8H or .E8H2 or .E8H3 or :3E8H;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
4.014
HIS160
3.981
THR271
4.329
MET273
3.329
ASP318
3.899
LEU319
3.562
ASN321
3.535
PRO322
4.934
TYR329
4.094
TRP332
4.344
THR333
4.091
|
|||||
| Ligand Name: Dnmt3A-IN-1 | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-617 | PDB:7AAG | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [15] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QWT or .QWT2 or .QWT3 or :3QWT;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Cycloheptyl-5-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-769 | PDB:7ABE | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [16] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2E or .J2E2 or .J2E3 or :3J2E;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439 | PDB:6FET | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [17] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D68 or .D682 or .D683 or :3D68;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
4.168
HIS160
3.855
THR271
4.279
MET273
3.330
ASP318
3.789
LEU319
3.598
ASN321
3.435
PRO322
3.577
TYR329
3.606
TRP332
3.483
THR333
3.413
|
|||||
| Ligand Name: 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-226 | PDB:6FDI | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [18] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D5T or .D5T2 or .D5T3 or :3D5T;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
4.186
HIS160
3.950
THR271
4.305
MET273
3.281
ASP318
3.856
LEU319
3.629
ASN321
3.723
TYR329
4.282
TRP332
4.141
THR333
3.953
|
|||||
| Ligand Name: (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1086 | PDB:6FEB | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [19] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STIPQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D5Z or .D5Z2 or .D5Z3 or :3D5Z;style chemicals stick;color identity;select .A:127 or .A:132 or .A:133 or .A:136 or .A:137 or .A:138 or .A:139 or .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN127
3.333
LEU132
3.644
LYS133
3.559
LYS136
3.261
ILE137
3.488
PRO138
3.786
VAL139
3.904
TYR159
3.894
HIS160
3.915
THR271
4.256
MET273
3.297
ASP318
3.911
LEU319
3.821
ASN321
3.521
|
|||||
| Ligand Name: 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | PDB:6HWO | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [20] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQST
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FFZ or .FFZ2 or .FFZ3 or :3FFZ;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:365 or .A:368 or .A:369 or .A:371 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
4.205
HIS160
4.012
THR271
4.287
MET273
3.246
ASP318
3.792
LEU319
3.574
ASN321
4.164
PRO322
4.875
TYR329
4.279
TRP332
4.622
THR333
3.970
|
|||||
| Ligand Name: (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356 | PDB:6FE7 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [21] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D62 or .D622 or .D623 or :3D62;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.888
HIS160
3.958
THR271
4.216
MET273
3.212
ASP318
3.828
LEU319
3.584
ASN321
3.618
TYR329
4.206
TRP332
4.052
THR333
3.847
ILE336
3.429
|
|||||
| Ligand Name: 2-Cycloheptyl-5-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-4,4-dimethylpyrazol-3-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-637 | PDB:6IAG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [22] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3Q or .E3Q2 or .E3Q3 or :3E3Q;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{4-Methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425 | PDB:6FT0 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [23] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E6E or .E6E2 or .E6E3 or :3E6E;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:358 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.896
HIS160
4.313
THR271
4.263
MET273
3.418
ASP318
3.501
LEU319
3.520
ASN321
3.585
PRO322
4.857
TYR329
4.082
TRP332
4.260
THR333
4.013
ILE336
3.514
|
|||||
| Ligand Name: 5-(3-Cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1361 | PDB:7ABJ | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [24] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .863 or .8632 or .8633 or :3863;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]prop-2-ynamide | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 | PDB:6FTW | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [25] |
| PDB Sequence |
RFGVKTEQED
90 VLAKELEDVN100 KWGLHVFRIA110 ELSGNRPLTV120 IMHTIFQERD130 LLKTFKIPVD 140 TLITYLMTLE150 DHYHADVAYH160 NNIHAADVVQ170 STHVLLSTPA180 LEAVFTDLEI 190 LAAIFASAIH200 DVDHPGVSNQ210 FLINTNSELA220 LMYNDSSVLE230 NHHLAVGFKL 240 LQEENCDIFQ250 NLTKKQRQSL260 RKMVIDIVLA270 TDMSKHMNLL280 ADLKTMVETK 290 KVTSSGVLLL300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF 340 FRQGDRERER350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP 390 DAQDILDTLE400 DNREWYQSTI410 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E6Z or .E6Z2 or .E6Z3 or :3E6Z;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:365 or .A:368 or .A:369 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
4.130
HIS160
3.741
THR271
4.179
MET273
3.502
ASP318
3.666
LEU319
3.576
ASN321
3.844
PRO322
4.958
TYR329
4.167
TRP332
4.398
|
|||||
| Ligand Name: 2-Cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-656 | PDB:7AB9 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [26] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QWZ or .QWZ2 or .QWZ3 or :3QWZ;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | PDB:5LBO | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [27] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6M5 or .6M52 or .6M53 or :36M5;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.994
HIS160
3.997
THR271
4.163
MET273
3.330
ASP318
3.823
LEU319
3.503
ASN321
3.587
PRO322
4.955
TYR329
4.124
TRP332
4.304
THR333
3.833
|
|||||
| Ligand Name: (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417 | PDB:6IBF | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [28] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4I7 or .4I72 or .4I73 or :34I7;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:358 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.782
HIS160
3.954
THR271
4.212
MET273
3.186
ASP318
3.839
LEU319
3.174
ASN321
3.716
TYR329
4.149
TRP332
3.712
THR333
3.651
ILE336
3.585
|
|||||
| Ligand Name: Osthole | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with osthole | PDB:6AKR | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [29] |
| PDB Sequence |
QEDVLAKELE
335 DVNKWGLHVF345 RIAELSGNRP355 LTVIMHTIFQ365 ERDLLKTFKI375 PVDTLITYLM 385 TLEDHYHADV395 AYHNNIHAAD405 VVQSTHVLLS415 TPALEAVFTD425 LEILAAIFAS 435 AIHDVDHPGV445 SNQFLINTNS455 ELALMYNDSS465 VLENHHLAVG475 FKLLQEENCD 485 IFQNLTKKQR495 QSLRKMVIDI505 VLATDMSKHM515 NLLADLKTMV525 ETKKVTSSGV 535 LLLDNYSDRI545 QVLQNMVHCA555 DLSNPTKPLQ565 LYRQWTDRIM575 EEFFRQGDRE 585 RERGMEISPM595 CDKHNASVEK605 SQVGFIDYIV615 HPLWETWADL625 VHPDAQDILD 635 TLEDNREWYQ645 STIPQ
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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 .A0O or .A0O2 or .A0O3 or :3A0O;style chemicals stick;color identity;select .A:397 or .A:511 or .A:556 or .A:557 or .A:559 or .A:567 or .A:570 or .A:571 or .A:574 or .A:575 or .A:578 or .A:595 or .A:606 or .A:607 or .A:610; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4aS,8aS)-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-3098 | PDB:6FTA | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [30] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
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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 .E6N or .E6N2 or .E6N3 or :3E6N;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:358 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
4.085
HIS160
4.318
THR271
4.271
MET273
3.518
ASP318
3.447
LEU319
3.336
ASN321
4.239
TYR329
4.119
TRP332
4.249
THR333
3.893
ILE336
3.708
|
|||||
| Ligand Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-768 | PDB:7ABD | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [31] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411
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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 .RLW or .RLW2 or .RLW3 or :3RLW;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Ethenyl 6-(Ethenylcarbamoyl)-2-[(Phenylacetyl)amino]-4,5,6,7-Tetrahydrothieno[2,3-C]pyridine-3-Carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE4D2 with compound 10D | PDB:3SL4 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [32] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JN4 or .JN42 or .JN43 or :3JN4;style chemicals stick;color identity;select .A:159 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (S)-3-(2-(3-Cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-YL)thiazol-2-YL)ethyl)pyridine 1-oxide | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D in complex with L-869298 | PDB:2FM0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [33] |
| PDB Sequence |
IPRFGVKTEQ
88 EDVLAKELED98 VNKWGLHVFR108 IAELSGNRPL118 TVIMHTIFQE128 RDLLKTFKIP 138 VDTLITYLMT148 LEDHYHADVA158 YHNNIHAADV168 VQSTHVLLST178 PALEAVFTDL 188 EILAAIFASA198 IHDVDHPGVS208 NQFLINTNSE218 LALMYNDSSV228 LENHHLAVGF 238 KLLQEENCDI248 FQNLTKKQRQ258 SLRKMVIDIV268 LATDMSKHMN278 LLADLKTMVE 288 TKKVTSSGVL298 LLDNYSDRIQ308 VLQNMVHCAD318 LSNPTKPLQL328 YRQWTDRIME 338 EFFRQGDRER348 ERGMEISPMC358 DKHNASVEKS368 QVGFIDYIVH378 PLWETWADLV 388 HPDAQDILDT398 LEDNREWYQS408 TIPQ
|
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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 .M98 or .M982 or .M983 or :3M98;style chemicals stick;color identity;select .A:159 or .A:160 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2r)-8-(3,4-Dimethoxyphenyl)-6-Methyl-2-(Tetrahydro-2h-Pyran-4-Yl)-2h-Chromen-4-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE4D2 with compound 2 | PDB:4OGB | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [34] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2SR or .2SR2 or .2SR3 or :32SR;style chemicals stick;color identity;select .A:160 or .A:273 or .A:274 or .A:318 or .A:319 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R)-3-(2-(3-Cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-YL)thiazol-2-YL)ethyl)pyridine 1-oxide | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D2 in complex with inhibitor L-869299 | PDB:2FM5 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [33] |
| PDB Sequence |
IPRFGVKTEQ
88 EDVLAKELED98 VNKWGLHVFR108 IAELSGNRPL118 TVIMHTIFQE128 RDLLKTFKIP 138 VDTLITYLMT148 LEDHYHADVA158 YHNNIHAADV168 VQSTHVLLST178 PALEAVFTDL 188 EILAAIFASA198 IHDVDHPGVS208 NQFLINTNSE218 LALMYNDSSV228 LENHHLAVGF 238 KLLQEENCDI248 FQNLTKKQRQ258 SLRKMVIDIV268 LATDMSKHMN278 LLADLKTMVE 288 TKKVTSSGVL298 LLDNYSDRIQ308 VLQNMVHCAD318 LSNPTKPLQL328 YRQWTDRIME 338 EFFRQGDRER348 ERGMEISPMC358 DKHNASVEKS368 QVGFIDYIVH378 PLWETWADLV 388 HPDAQDILDT398 LEDNREWYQS408 TIPQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M99 or .M992 or .M993 or :3M99;style chemicals stick;color identity;select .A:159 or .A:160 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.821
HIS160
3.922
GLU230
4.896
THR271
3.561
MET273
3.409
ASP318
3.314
LEU319
3.947
ASN321
3.260
PRO322
3.654
TYR329
3.517
|
|||||
| Ligand Name: Cyclopentyl 6-(Ethylcarbamoyl)-2-[(Thiophen-2-Ylacetyl)amino]-4,5,6,7-Tetrahydrothieno[2,3-C]pyridine-3-Carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE4D2 with compound 12c | PDB:3SL6 | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [32] |
| PDB Sequence |
VKTEQEDVLA
93 KELEDVNKWG103 LHVFRIAELS113 GNRPLTVIMH123 TIFQERDLLK133 TFKIPVDTLI 143 TYLMTLEDHY153 HADVAYHNNI163 HAADVVQSTH173 VLLSTPALEA183 VFTDLEILAA 193 IFASAIHDVD203 HPGVSNQFLI213 NTNSELALMY223 NDSSVLENHH233 LAVGFKLLQE 243 ENCDIFQNLT253 KKQRQSLRKM263 VIDIVLATDM273 SKHMNLLADL283 KTMVETKKVT 293 SSGVLLLDNY303 SDRIQVLQNM313 VHCADLSNPT323 KPLQLYRQWT333 DRIMEEFFRQ 343 GDRERERGME353 ISPMCDKHNA363 SVEKSQVGFI373 DYIVHPLWET383 WADLVHPDAQ 393 DILDTLEDNR403 EWYQSTI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JN8 or .JN82 or .JN83 or :3JN8;style chemicals stick;color identity;select .A:159 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Cyclopentyl 6-Ethenyl 2-[(Thiophen-2-Ylacetyl)amino]-4,7-Dihydrothieno[2,3-C]pyridine-3,6(5h)-Dicarboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE4D2 with compound 10o | PDB:3SL8 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [32] |
| PDB Sequence |
VKTEQEDVLA
93 KELEDVNKWG103 LHVFRIAELS113 GNRPLTVIMH123 TIFQERDLLK133 TFKIPVDTLI 143 TYLMTLEDHY153 HADVAYHNNI163 HAADVVQSTH173 VLLSTPALEA183 VFTDLEILAA 193 IFASAIHDVD203 HPGVSNQFLI213 NTNSELALMY223 NDSSVLENHH233 LAVGFKLLQE 243 ENCDIFQNLT253 KKQRQSLRKM263 VIDIVLATDM273 SKHMNLLADL283 KTMVETKKVT 293 SSGVLLLDNY303 SDRIQVLQNM313 VHCADLSNPT323 KPLQLYRQWT333 DRIMEEFFRQ 343 GDRERERGME353 ISPMCDKHNA363 SVEKSQVGFI373 DYIVHPLWET383 WADLVHPDAQ 393 DILDTLEDNR403 EWYQSTI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JN7 or .JN72 or .JN73 or :3JN7;style chemicals stick;color identity;select .A:159 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-{1-[(1s)-1-[3-(Cyclopropylmethoxy)-4-(Difluoromethoxy)phenyl]-2-(1-Oxidopyridin-4-Yl)ethyl]-1h-Pyrazol-3-Yl}phenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE4D2 with (S)-N-(3-{1-[1-(3-Cyclopropylmethoxy-4-difluoromethoxyphenyl)-2-(1-oxypyridin-4-yl)-ethyl]-1H-pyrazl-3-yl}phenyl)acetamide | PDB:3V9B | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [35] |
| PDB Sequence |
FGVKTEQEDV
91 LAKELEDVNK101 WGLHVFRIAE111 LSGNRPLTVI121 MHTIFQERDL131 LKTFKIPVDT 141 LITYLMTLED151 HYHADVAYHN161 NIHAADVVQS171 THVLLSTPAL181 EAVFTDLEIL 191 AAIFASAIHD201 VDHPGVSNQF211 LINTNSELAL221 MYNDSSVLEN231 HHLAVGFKLL 241 QEENCDIFQN251 LTKKQRQSLR261 KMVIDIVLAT271 DMSKHMNLLA281 DLKTMVETKK 291 VTSSGVLLLD301 NYSDRIQVLQ311 NMVHCADLSN321 PTKPLQLYRQ331 WTDRIMEEFF 341 RQGDRERERG351 MEISPMCDKH361 NASVEKSQVG371 FIDYIVHPLW381 ETWADLVHPD 391 AQDILDTLED401 NREWYQSTIP411 Q
|
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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 .IHM or .IHM2 or .IHM3 or :3IHM;style chemicals stick;color identity;select .A:159 or .A:160 or .A:208 or .A:230 or .A:271 or .A:272 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:343 or .A:357 or .A:358 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.628
HIS160
4.129
SER208
3.404
GLU230
3.643
THR271
3.225
ASP272
3.896
MET273
3.214
ASP318
3.626
LEU319
3.963
ASN321
3.186
PRO322
3.607
TYR329
3.225
|
|||||
| Ligand Name: N-(3,5-Dichloropyridin-4-Yl)-3-[(3-Ethyl-1,2-Oxazol-5-Yl)methoxy]-4-Methoxybenzamide | Ligand Info | |||||
| Structure Description | PDE4D complexed with inhibitor | PDB:4W1O | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [36] |
| PDB Sequence |
DVLAKELEDV
99 NKWGLHVFRI109 AELSGNRPLT119 VIMHTIFQER129 DLLKTFKIPV139 DTLITYLMTL 149 EDHYHADVAY159 HNNIHAADVV169 QSTHVLLSTP179 ALEAVFTDLE189 ILAAIFASAI 199 HDVDHPGVSN209 QFLINTNSEL219 ALMYNDSSVL229 ENHHLAVGFK239 LLQEENCDIF 249 QNLTKKQRQS259 LRKMVIDIVL269 ATDMSKHMNL279 LADLKTMVET289 KKVTSSGVLL 299 LDNYSDRIQV309 LQNMVHCADL319 SNPTKPLQLY329 RQWTDRIMEE339 FFRQGDRERE 349 RGMEISPMCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH389 PDAQDILDTL 399 EDNREWYQST409 IP
|
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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 .3GJ or .3GJ2 or .3GJ3 or :33GJ;style chemicals stick;color identity;select .A:159 or .A:160 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.626
HIS160
3.585
GLU230
4.954
THR271
3.619
MET273
3.489
ASP318
3.154
LEU319
3.205
ASN321
3.480
TYR329
3.899
TRP332
3.726
|
|||||
| Ligand Name: N-Benzyl-2-{6-[(3,5-Dichloropyridin-4-Yl)acetyl]-2,3-Dimethoxyphenoxy}acetamide | Ligand Info | |||||
| Structure Description | PDE4 complexed with inhibitor | PDB:4WCU | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [36] |
| PDB Sequence |
DVLAKELEDV
99 NKWGLHVFRI109 AELSGNRPLT119 VIMHTIFQER129 DLLKTFKIPV139 DTLITYLMTL 149 EDHYHADVAY159 HNNIHAADVV169 QSTHVLLSTP179 ALEAVFTDLE189 ILAAIFASAI 199 HDVDHPGVSN209 QFLINTNSEL219 ALMYNDSSVL229 ENHHLAVGFK239 LLQEENCDIF 249 QNLTKKQRQS259 LRKMVIDIVL269 ATDMSKHMNL279 LADLKTMVET289 KKVTSSGVLL 299 LDNYSDRIQV309 LQNMVHCADL319 SNPTKPLQLY329 RQWTDRIMEE339 FFRQGDRERE 349 RGMEISPMCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH389 PDAQDILDTL 399 EDNREWYQST409 IPTEKFQFEL436
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3KQ or .3KQ2 or .3KQ3 or :33KQ;style chemicals stick;color identity;select .A:159 or .A:160 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:369 or .A:372 or .A:376 or .A:432 or .A:433 or .A:436; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR159
3.947
HIS160
3.791
GLU230
4.500
THR271
3.713
MET273
3.425
ASP318
3.451
LEU319
3.797
ASN321
3.711
TYR329
4.053
TRP332
3.981
THR333
3.824
|
|||||
| Ligand Name: Diethyl 2-[(Thiophen-2-Ylacetyl)amino]-4,7-Dihydrothieno[2,3-C]pyridine-3,6(5h)-Dicarboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d | PDB:3SL5 | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [32] |
| PDB Sequence |
GVKTEQEDVL
92 AKELEDVNKW102 GLHVFRIAEL112 SGNRPLTVIM122 HTIFQERDLL132 KTFKIPVDTL 142 ITYLMTLEDH152 YHADVAYHNN162 IHAADVVQST172 HVLLSTPALE182 AVFTDLEILA 192 AIFASAIHDV202 DHPGVSNQFL212 INTNSELALM222 YNDSSVLENH232 HLAVGFKLLQ 242 EENCDIFQNL252 TKKQRQSLRK262 MVIDIVLATD272 MSKHMNLLAD282 LKTMVETKKV 292 TSSGVLLLDN302 YSDRIQVLQN312 MVHCADLSNP322 TKPLQLYRQW332 TDRIMEEFFR 342 QGDRERERGM352 EISPMCDKHN362 ASVEKSQVGF372 IDYIVHPLWE382 TWADLVHPDA 392 QDILDTLEDN402 REWYQSTI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J25 or .J252 or .J253 or :3J25;style chemicals stick;color identity;select .A:159 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | PDB:1Y2K | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [37] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .7DE or .7DE2 or .7DE3 or :37DE;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | PDB:1Y2B | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [37] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .DEE or .DEE2 or .DEE3 or :3DEE;style chemicals stick;color identity;select .A:159 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Arctigenin | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain in complex with arctigenin | PDB:6LRM | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [38] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .EQC or .EQC2 or .EQC3 or :3EQC;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:276 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IMI | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [39] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVTSSG 296 VLLLDNYSDR306 IQVLQNMVHC316 ADLSNPTKPL326 QLYRQWTDRI336 MEEFFRQGDR 346 ERERGMEISP356 MCDKHNASVE366 KSQVGFIDYI376 VHPLWETWAD386 LVHPDAQDIL 396 DTLEDNREWY406 QSTIP
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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 .AH6 or .AH62 or .AH63 or :3AH6;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IMT | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [39] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STIP
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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 .AK0 or .AK02 or .AK03 or :3AK0;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain in complex with compound 36 | PDB:7CBJ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [1] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FTX or .FTX2 or .FTX3 or :3FTX;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:274 or .A:276 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IMR | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [39] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVTSSG 296 VLLLDNYSDR306 IQVLQNMVHC316 ADLSNPTKPL326 QLYRQWTDRI336 MEEFFRQGDR 346 ERERGMEISP356 MCDKHNASVE366 KSQVGFIDYI376 VHPLWETWAD386 LVHPDAQDIL 396 DTLEDNREWY406 QSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJX or .AJX2 or .AJX3 or :3AJX;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:276 or .A:315 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IMD | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [39] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVTSSG 296 VLLLDNYSDR306 IQVLQNMVHC316 ADLSNPTKPL326 QLYRQWTDRI336 MEEFFRQGDR 346 ERERGMEISP356 MCDKHNASVE366 KSQVGFIDYI376 VHPLWETWAD386 LVHPDAQDIL 396 DTLEDNREWY406 QSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AH9 or .AH92 or .AH93 or :3AH9;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IMO | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [39] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STIP
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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 .AJL or .AJL2 or .AJL3 or :3AJL;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester | PDB:1Y2C | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [37] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3DE or .3DE2 or .3DE3 or :33DE;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6INK | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [39] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AKU or .AKU2 or .AKU3 or :3AKU;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IM6 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [39] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVTSSG 296 VLLLDNYSDR306 IQVLQNMVHC316 ADLSNPTKPL326 QLYRQWTDRI336 MEEFFRQGDR 346 ERERGMEISP356 MCDKHNASVE366 KSQVGFIDYI376 VHPLWETWAD386 LVHPDAQDIL 396 DTLEDNREWY406 QSTIP
|
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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 .AH3 or .AH32 or .AH33 or :3AH3;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-methoxy-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | PDB:1Y2D | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [37] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
|
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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 .4DE or .4DE2 or .4DE3 or :34DE;style chemicals stick;color identity;select .A:159 or .A:273 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D complexed with a novel inhibitor | PDB:6IND | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [39] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVTSSG 296 VLLLDNYSDR306 IQVLQNMVHC316 ADLSNPTKPL326 QLYRQWTDRI336 MEEFFRQGDR 346 ERERGMEISP356 MCDKHNASVE366 KSQVGFIDYI376 VHPLWETWAD386 LVHPDAQDIL 396 DTLEDNREWY406 QSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AKO or .AKO2 or .AKO3 or :3AKO;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:375 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4r)-4-(3-Butoxy-4-Methoxybenzyl)imidazolidin-2-One | Ligand Info | |||||
| Structure Description | The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone | PDB:3K4S | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [40] |
| PDB Sequence |
HMTEQEDVLA
93 KELEDVNKWG103 LHVFRIAELS113 GNRPLTVIMH123 TIFQERDLLK133 TFKIPVDTLI 143 TYLMTLEDHY153 HADVAYHNNI163 HAADVVQSTH173 VLLSTPALEA183 VFTDLEILAA 193 IFASAIHDVD203 HPGVSNQFLI213 NTNSELALMY223 NDSSVLENHH233 LAVGFKLLQE 243 ENCDIFQNLT253 KKQRQSLRKM263 VIDIVLATDM273 SKHMNLLADL283 KTMVETKKVT 293 SSGVLLLDNY303 SDRIQVLQNM313 VHCADLSNPT323 KPLQLYRQWT333 DRIMEEFFRQ 343 GDRERERGME353 ISPMCDKHNA363 SVEKSQVGFI373 DYIVHPLWET383 WADLVHPDAQ 393 DILDTLEDNR403 EWYQSTIPQ
|
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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 .0MO or .0MO2 or .0MO3 or :30MO;style chemicals stick;color identity;select .A:159 or .A:160 or .A:273 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate | Ligand Info | |||||
| Structure Description | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-amino-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | PDB:1Y2E | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [37] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5DE or .5DE2 or .5DE3 or :35DE;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:357 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a | PDB:6FDC | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [41] |
| PDB Sequence |
GVKTEQEDVL
258 AKELEDVNKW268 GLHVFRIAEL278 SGNRPLTVIM288 HTIFQERDLL298 KTFKIPVDTL 308 ITYLMTLEDH318 YHADVAYHNN328 IHAADVVQST338 HVLLSTPALE348 AVFTDLEILA 358 AIFASAIHDV368 DHPGVSNQFL378 INTNSELALM388 YNDSSVLENH398 HLAVGFKLLQ 408 EENCDIFQNL418 TKKQRQSLRK428 MVIDIVLATD438 MSKHMNLLAD448 LKTMVETKKV 458 TSSGVLLLDN468 YSDRIQVLQN478 MVHCADLSNP488 TKPLQLYRQW498 TDRIMEEFFR 508 QGDRERERGM518 EISPMCDKHN528 ASVEKSQVGF538 IDYIVHPLWE548 TWADLVHPDA 558 QDILDTLEDN568 REWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DD5 or .DD52 or .DD53 or :3DD5;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:373 or .A:374 or .A:375 or .A:439 or .A:484 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:505 or .A:506 or .A:509 or .A:521 or .A:522 or .A:523 or .A:524 or .A:534 or .A:535 or .A:538; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.612
HIS326
3.297
HIS370
4.173
VAL373
4.701
SER374
2.587
ASN375
4.749
MET439
3.159
ASP484
4.476
ASN487
2.514
PRO488
3.563
TYR495
3.055
TRP498
3.340
THR499
2.526
|
|||||
| Ligand Name: 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | PDB:7B9H | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [42] |
| PDB Sequence |
PRFGVKTEQE
89 DVLAKELEDV99 NKWGLHVFRI109 AELSGNRPLT119 VIMHTIFQER129 DLLKTFKIPV 139 DTLITYLMTL149 EDHYHADVAY159 HNNIHAADVV169 QSTHVLLSTP179 ALEAVFTDLE 189 ILAAIFASAI199 HDVDHPGVSN209 QFLINTNSEL219 ALMYNDSSVL229 ENHHLAVGFK 239 LLQEENCDIF249 QNLTKKQRQS259 LRKMVIDIVL269 ATDMSKHMNL279 LADLKTMVET 289 KKVTSSGVLL299 LDNYSDRIQV309 LQNMVHCADL319 SNPTKPLQLY329 RQWTDRIMEE 339 FFRQGDRERE349 RGMEISPMCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH 389 PDAQDILDTL399 EDNREWYQST409 IP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T3K or .T3K2 or .T3K3 or :3T3K;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:272 or .A:273 or .A:315 or .A:318 or .A:319 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[3-(3-Cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18a | PDB:6F8W | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [41] |
| PDB Sequence |
LAKELEDVNK
267 WGLHVFRIAE277 LSGNRPLTVI287 MHTIFQERDL297 LKTFKIPVDT307 LITYLMTLED 317 HYHADVAYHN327 NIHAADVVQS337 THVLLSTPAL347 EAVFTDLEIL357 AAIFASAIHD 367 VDHPGVSNQF377 LINTNSELAL387 MYNDSSVLEN397 HHLAVGFKLL407 QEENCDIFQN 417 LTKKQRQSLR427 KMVIDIVLAT437 DMSKHMNLLA447 DLKTMVETKK457 VTSSGVLLLD 467 NYSDRIQVLQ477 NMVHCADLSN487 PTKPLQLYRQ497 WTDRIMEEFF507 RQGDRERERG 517 MEISPMCDKH527 NASVEKSQVG537 FIDYIVHPLW547 ETWADLVHPD557 AQDILDTLED 567 NREWYQSTIP577 QA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D0E or .D0E2 or .D0E3 or :3D0E;style chemicals stick;color identity;select .A:325 or .A:326 or .A:367 or .A:370 or .A:374 or .A:396 or .A:437 or .A:438 or .A:439 or .A:481 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:523 or .A:534 or .A:535 or .A:538 or .A:542; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.935
HIS326
2.879
ASP367
4.981
HIS370
4.948
SER374
3.856
GLU396
4.414
THR437
3.307
ASP438
4.668
MET439
2.713
HIS481
4.616
ASP484
2.607
LEU485
3.072
ASN487
2.602
|
|||||
| Ligand Name: 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b | PDB:7AY6 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [42] |
| PDB Sequence |
PRFGVKTEQE
89 DVLAKELEDV99 NKWGLHVFRI109 AELSGNRPLT119 VIMHTIFQER129 DLLKTFKIPV 139 DTLITYLMTL149 EDHYHADVAY159 HNNIHAADVV169 QSTHVLLSTP179 ALEAVFTDLE 189 ILAAIFASAI199 HDVDHPGVSN209 QFLINTNSEL219 ALMYNDSSVL229 ENHHLAVGFK 239 LLQEENCDIF249 QNLTKKQRQS259 LRKMVIDIVL269 ATDMSKHMNL279 LADLKTMVET 289 KKVTSSGVLL299 LDNYSDRIQV309 LQNMVHCADL319 SNPTKPLQLY329 RQWTDRIMEE 339 FFRQGDRERE349 RGMEISPMCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH 389 PDAQDILDTL399 EDNREWYQST409 IP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S8Q or .S8Q2 or .S8Q3 or :3S8Q;style chemicals stick;color identity;select .A:159 or .A:160 or .A:208 or .A:273 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:343 or .A:355 or .A:356 or .A:357 or .A:358 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a | PDB:6F8T | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [41] |
| PDB Sequence |
VKTEQEDVLA
259 KELEDVNKWG269 LHVFRIAELS279 GNRPLTVIMH289 TIFQERDLLK299 TFKIPVDTLI 309 TYLMTLEDHY319 HADVAYHNNI329 HAADVVQSTH339 VLLSTPALEA349 VFTDLEILAA 359 IFASAIHDVD369 HPGVSNQFLI379 NTNSELALMY389 NDSSVLENHH399 LAVGFKLLQE 409 ENCDIFQNLT419 KKQRQSLRKM429 VIDIVLATDM439 SKHMNLLADL449 KTMVETKKVT 459 SSGVLLLDNY469 SDRIQVLQNM479 VHCADLSNPT489 KPLQLYRQWT499 DRIMEEFFRQ 509 GDRERERGME519 ISPMCDKHNA529 SVEKSQVGFI539 DYIVHPLWET549 WADLVHPDAQ 559 DILDTLEDNR569 EWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CZT or .CZT2 or .CZT3 or :3CZT;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:373 or .A:374 or .A:375 or .A:376 or .A:395 or .A:439 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:505 or .A:506 or .A:509 or .A:521 or .A:522 or .A:523 or .A:524 or .A:534 or .A:535 or .A:538; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.620
HIS326
3.485
HIS370
3.971
VAL373
4.392
SER374
2.763
ASN375
4.519
GLN376
4.520
LEU395
4.850
MET439
3.972
ASP484
4.443
LEU485
4.362
ASN487
2.536
PRO488
4.677
TYR495
3.059
|
|||||
| Ligand Name: (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-54 | PDB:6F8R | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [41] |
| PDB Sequence |
DVLAKELEDV
265 NKWGLHVFRI275 AELSGNRPLT285 VIMHTIFQER295 DLLKTFKIPV305 DTLITYLMTL 315 EDHYHADVAY325 HNNIHAADVV335 QSTHVLLSTP345 ALEAVFTDLE355 ILAAIFASAI 365 HDVDHPGVSN375 QFLINTNSEL385 ALMYNDSSVL395 ENHHLAVGFK405 LLQEENCDIF 415 QNLTKKQRQS425 LRKMVIDIVL435 ATDMSKHMNL445 LADLKTMVET455 KKVTSSGVLL 465 LDNYSDRIQV475 LQNMVHCADL485 SNPTKPLQLY495 RQWTDRIMEE505 FFRQGDRERE 515 RGMEISPMCD525 KHNASVEKSQ535 VGFIDYIVHP545 LWETWADLVH555 PDAQDILDTL 565 EDNREWYQST575 IP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CZK or .CZK2 or .CZK3 or :3CZK;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:373 or .A:374 or .A:375 or .A:439 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:505 or .A:506 or .A:509 or .A:521 or .A:522 or .A:523 or .A:524 or .A:531 or .A:534 or .A:535 or .A:538; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.857
HIS326
3.182
HIS370
4.819
VAL373
4.884
SER374
2.642
ASN375
4.456
MET439
3.245
ASP484
4.620
LEU485
4.982
ASN487
2.554
PRO488
4.451
TYR495
3.258
TRP498
3.009
THR499
2.741
|
|||||
| Ligand Name: 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-7b | PDB:6F6U | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [41] |
| PDB Sequence |
VKTEQEDVLA
259 KELEDVNKWG269 LHVFRIAELS279 GNRPLTVIMH289 TIFQERDLLK299 TFKIPVDTLI 309 TYLMTLEDHY319 HADVAYHNNI329 HAADVVQSTH339 VLLSTPALEA349 VFTDLEILAA 359 IFASAIHDVD369 HPGVSNQFLI379 NTNSELALMY389 NDSSVLENHH399 LAVGFKLLQE 409 ENCDIFQNLT419 KKQRQSLRKM429 VIDIVLATDM439 SKHMNLLADL449 KTMVETKKVT 459 SSGVLLLDNY469 SDRIQVLQNM479 VHCADLSNPT489 KPLQLYRQWT499 DRIMEEFFRQ 509 GDRERERGME519 ISPMCDKHNA529 SVEKSQVGFI539 DYIVHPLWET549 WADLVHPDAQ 559 DILDTLEDNR569 EWYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CV8 or .CV82 or .CV83 or :3CV8;style chemicals stick;color identity;select .A:325 or .A:326 or .A:374 or .A:375 or .A:439 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:509 or .A:521 or .A:522 or .A:523 or .A:524 or .A:531 or .A:534 or .A:535 or .A:538; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.842
HIS326
4.299
SER374
2.772
ASN375
4.886
MET439
3.133
ASP484
4.181
LEU485
4.538
ASN487
2.455
PRO488
4.693
TYR495
3.025
TRP498
3.155
THR499
2.960
|
|||||
| Ligand Name: 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18b | PDB:6F8V | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [41] |
| PDB Sequence |
KTEQEDVLAK
260 ELEDVNKWGL270 HVFRIAELSG280 NRPLTVIMHT290 IFQERDLLKT300 FKIPVDTLIT 310 YLMTLEDHYH320 ADVAYHNNIH330 AADVVQSTHV340 LLSTPALEAV350 FTDLEILAAI 360 FASAIHDVDH370 PGVSNQFLIN380 TNSELALMYN390 DSSVLENHHL400 AVGFKLLQEE 410 NCDIFQNLTK420 KQRQSLRKMV430 IDIVLATDMS440 KHMNLLADLK450 TMVETKKVTS 460 SGVLLLDNYS470 DRIQVLQNMV480 HCADLSNPTK490 PLQLYRQWTD500 RIMEEFFRQG 510 DRERERGMEI520 SPMCDKHNAS530 VEKSQVGFID540 YIVHPLWETW550 ADLVHPDAQD 560 ILDTLEDNRE570 WYQSTIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D0B or .D0B2 or .D0B3 or :3D0B;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:374 or .A:396 or .A:437 or .A:438 or .A:439 or .A:481 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:522 or .A:523 or .A:531 or .A:534 or .A:535 or .A:538 or .A:542; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
3.045
HIS326
3.061
HIS370
4.713
SER374
3.786
GLU396
4.585
THR437
3.144
ASP438
4.381
MET439
2.458
HIS481
4.371
ASP484
2.441
LEU485
3.156
ASN487
2.514
PRO488
4.534
|
|||||
| Ligand Name: 2-[(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N,N-bis(2-hydroxyethyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-26g | PDB:6F8X | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [41] |
| PDB Sequence |
DVLAKELEDV
265 NKWGLHVFRI275 AELSGNRPLT285 VIMHTIFQER295 DLLKTFKIPV305 DTLITYLMTL 315 EDHYHADVAY325 HNNIHAADVV335 QSTHVLLSTP345 ALEAVFTDLE355 ILAAIFASAI 365 HDVDHPGVSN375 QFLINTNSEL385 ALMYNDSSVL395 ENHHLAVGFK405 LLQEENCDIF 415 QNLTKKQRQS425 LRKMVIDIVL435 ATDMSKHMNL445 LADLKTMVET455 KKVTSSGVLL 465 LDNYSDRIQV475 LQNMVHCADL485 SNPTKPLQLY495 RQWTDRIMEE505 FFRQGDRERE 515 RGMEISPMCD525 KHNASVEKSQ535 VGFIDYIVHP545 LWETWADLVH555 PDAQDILDTL 565 EDNREWYQST575 IP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D08 or .D082 or .D083 or :3D08;style chemicals stick;color identity;select .A:325 or .A:326 or .A:370 or .A:373 or .A:374 or .A:375 or .A:376 or .A:395 or .A:396 or .A:437 or .A:438 or .A:439 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:505 or .A:506 or .A:509 or .A:523 or .A:531 or .A:534 or .A:535 or .A:538; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.866
HIS326
3.099
HIS370
3.695
VAL373
4.163
SER374
2.512
ASN375
2.351
GLN376
3.978
LEU395
4.442
GLU396
3.636
THR437
4.808
ASP438
4.763
MET439
3.262
ASP484
4.221
LEU485
3.285
ASN487
2.451
|
|||||
| Ligand Name: 2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D catalytic domain in complex with GEBR-20b | PDB:6F8U | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [41] |
| PDB Sequence |
DVLAKELEDV
265 NKWGLHVFRI275 AELSGNRPLT285 VIMHTIFQER295 DLLKTFKIPV305 DTLITYLMTL 315 EDHYHADVAY325 HNNIHAADVV335 QSTHVLLSTP345 ALEAVFTDLE355 ILAAIFASAI 365 HDVDHPGVSN375 QFLINTNSEL385 ALMYNDSSVL395 ENHHLAVGFK405 LLQEENCDIF 415 QNLTKKQRQS425 LRKMVIDIVL435 ATDMSKHMNL445 LADLKTMVET455 KKVTSSGVLL 465 LDNYSDRIQV475 LQNMVHCADL485 SNPTKPLQLY495 RQWTDRIMEE505 FFRQGDRERE 515 RGMEISPMCD525 KHNASVEKSQ535 VGFIDYIVHP545 LWETWADLVH555 PDAQDILDTL 565 EDNREWYQST575 IP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CZQ or .CZQ2 or .CZQ3 or :3CZQ;style chemicals stick;color identity;select .A:325 or .A:326 or .A:373 or .A:374 or .A:439 or .A:484 or .A:485 or .A:487 or .A:488 or .A:495 or .A:498 or .A:499 or .A:502 or .A:503 or .A:506 or .A:509 or .A:521 or .A:522 or .A:523 or .A:524 or .A:531 or .A:534 or .A:535 or .A:538; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR325
2.985
HIS326
4.547
VAL373
4.290
SER374
2.685
MET439
3.845
ASP484
4.426
LEU485
4.152
ASN487
2.490
PRO488
3.681
TYR495
3.180
TRP498
3.401
THR499
2.474
|
|||||
| Ligand Name: 1-[2-(4-Hydroxyphenyl)ethynyl]-9,9-Bis(4-Methoxyphenyl)-7-Oxidanyl-Fluorene-2-Carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | PDB:5WQA | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [43] |
| PDB Sequence |
IPRFGVKTEQ
88 EDVLAKELED98 VNKWGLHVFR108 IAELSGNRPL118 TVIMHTIFQE128 RDLLKTFKIP 138 VDTLITYLMT148 LEDHYHADVA158 YHNNIHAADV168 VQSTHVLLST178 PALEAVFTDL 188 EILAAIFASA198 IHDVDHPGVS208 NQFLINTNSE218 LALMYNDSSV228 LENHHLAVGF 238 KLLQEENCDI248 FQNLTKKQRQ258 SLRKMVIDIV268 LATDMSKHMN278 LLADLKTMVE 288 TKKVTSSGVL298 LLDNYSDRIQ308 VLQNMVHCAD318 LSNPTKPLQL328 YRQWTDRIME 338 EFFRQGDRER348 ERGMEISPMC358 DKHNASVEKS368 QVGFIDYIVH378 PLWETWADLV 388 HPDAQDILDT398 LEDNREWYQS408 TIPQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J20 or .J202 or .J203 or :3J20;style chemicals stick;color identity;select .A:159 or .A:160 or .A:201 or .A:208 or .A:273 or .A:276 or .A:318 or .A:319 or .A:336 or .A:340 or .A:343 or .A:356 or .A:357 or .A:358 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D2 in complex with inhibitor NPV | PDB:2QYN | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [44] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .NPV or .NPV2 or .NPV3 or :3NPV;style chemicals stick;color identity;select .A:159 or .A:160 or .A:204 or .A:208 or .A:230 or .A:273 or .A:321 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:371 or .A:372 or .A:376; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Isomangostin | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with compound 1 | PDB:6KJZ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [45] |
| PDB Sequence |
KTEQEDVLAK
94 ELEDVNKWGL104 HVFRIAELSG114 NRPLTVIMHT124 IFQERDLLKT134 FKIPVDTLIT 144 YLMTLEDHYH154 ADVAYHNNIH164 AADVVQSTHV174 LLSTPALEAV184 FTDLEILAAI 194 FASAIHDVDH204 PGVSNQFLIN214 TNSELALMYN224 DSSVLENHHL234 AVGFKLLQEE 244 NCDIFQNLTK254 KQRQSLRKMV264 IDIVLATDMS274 KHMNLLADLK284 TMVETKKVTS 294 SGVLLLDNYS304 DRIQVLQNMV314 HCADLSNPTK324 PLQLYRQWTD334 RIMEEFFRQG 344 DRERERGMEI354 SPMCDKHNAS364 VEKSQVGFID374 YIVHPLWETW384 ADLVHPDAQD 394 ILDTLEDNRE404 WYQSTIP
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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 .MKU or .MKU2 or .MKU3 or :3MKU;style chemicals stick;color identity;select .A:159 or .A:273 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:340 or .A:356 or .A:357 or .A:368 or .A:369 or .A:372 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91 | PDB:5WH5 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [9] |
| PDB Sequence |
TEQEDVLAKE
95 LEDVNKWGLH105 VFRIAELSGN115 RPLTVIMHTI125 FQERDLLKTF135 KIPVDTLITY 145 LMTLEDHYHA155 DVAYHNNIHA165 ADVVQSTHVL175 LSTPALEAVF185 TDLEILAAIF 195 ASAIHDVDHP205 GVSNQFLINT215 NSELALMYND225 SSVLENHHLA235 VGFKLLQEEN 245 CDIFQNLTKK255 QRQSLRKMVI265 DIVLATDMSK275 HMNLLADLKT285 MVETKKVTSS 295 GVLLLDNYSD305 RIQVLQNMVH315 CADLSNPTKP325 LQLYRQWTDR335 IMEEFFRQGD 345 RERERGMEIS355 PMCDKHNASV365 EKSQVGFIDY375 IVHPLWETWA385 DLVHPDAQDI 395 LDTLEDNREW405 YQSTIP
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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 .R91 or .R912 or .R913 or :3R91;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-[8-Methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PDE4D catalytic domain complexed with compound 4e | PDB:6KK0 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [45] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISPM357 CDKHNASVEK367 SQVGFIDYIV377 HPLWETWADL387 VHPDAQDILD 397 TLEDNREWYQ407 STI
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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 .M36 or .M362 or .M363 or :3M36;style chemicals stick;color identity;select .A:159 or .A:160 or .A:164 or .A:200 or .A:201 or .A:273 or .A:318 or .A:319 or .A:336 or .A:340 or .A:357 or .A:367 or .A:368 or .A:371 or .A:372 or .A:375 or .A:376; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(5-Acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid | Ligand Info | |||||
| Structure Description | PDE4 crystal structure in complex with small molecule inhibitor | PDB:5K1I | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | No | [46] |
| PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVTVLL 299 LDNYSDRIQV309 LQNMVHCADL319 SNPTKPLQLY329 RQWTDRIMEE339 FFRQGDRERE 349 RGMEISPMCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH389 PDAQDILDTL 399 EDNREWYQST409 IP
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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 .6PT or .6PT2 or .6PT3 or :36PT;style chemicals stick;color identity;select .A:159 or .A:160 or .A:208 or .A:230 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:357 or .A:368 or .A:369 or .A:372; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR159
2.875
HIS160
4.361
SER208
4.444
GLU230
4.475
THR271
4.243
MET273
3.244
ASP318
4.434
LEU319
3.513
ASN321
3.141
PRO322
4.460
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| Ligand Name: 4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One | Ligand Info | |||||
| Structure Description | PDE4D crystal structure in complex with small molecule inhibitor | PDB:5K32 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [47] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTSSGV 297 LLLDNYSDRI307 QVLQNMVHCA317 DLSNPTKPLQ327 LYRQWTDRIM337 EEFFRQGDRE 347 RERGMEISCD359 KHNASVEKSQ369 VGFIDYIVHP379 LWETWADLVH389 PDAQDILDTL 399 EDNREWYQST409 IP
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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 .6Q2 or .6Q22 or .6Q23 or :36Q2;style chemicals stick;color identity;select .A:159 or .A:160 or .A:271 or .A:273 or .A:318 or .A:319 or .A:321 or .A:322 or .A:329 or .A:332 or .A:333 or .A:336 or .A:337 or .A:340 or .A:368 or .A:369 or .A:372; 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 | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur J Med Chem. 2021 Feb 5;211:113004. | ||||
| REF 2 | Structural basis for the activity of drugs that inhibit phosphodiesterases. Structure. 2004 Dec;12(12):2233-47. | ||||
| REF 3 | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. | ||||
| REF 4 | A glutamine switch mechanism for nucleotide selectivity by phosphodiesterases. Mol Cell. 2004 Jul 23;15(2):279-86. | ||||
| REF 5 | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J Med Chem. 2019 May 23;62(10):4884-4901. | ||||
| REF 6 | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat Biotechnol. 2010 Jan;28(1):63-70. | ||||
| REF 7 | Crystal structures of phosphodiesterases 4 and 5 in complex with inhibitor 3-isobutyl-1-methylxanthine suggest a conformation determinant of inhibitor selectivity. J Biol Chem. 2004 Mar 26;279(13):13095-101. | ||||
| REF 8 | The molecular basis for different recognition of substrates by phosphodiesterase families 4 and 10. J Mol Biol. 2007 Aug 10;371(2):302-7. | ||||
| REF 9 | Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors. Biochemistry. 2018 Jul 31;57(30):4518-4525. | ||||
| REF 10 | Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects. Biochem Pharmacol. 2022 Aug;202:115123. | ||||
| REF 11 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J Med Chem. 2021 Sep 23;64(18):13736-13751. | ||||
| REF 12 | Identification of imidazo[1,2- b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling. Medchemcomm. 2016 Dec 15;8(4):700-712. | ||||
| REF 13 | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J Med Chem. 2022 Mar 10;65(5):4238-4254. | ||||
| REF 14 | hPDE4D2 structure with inhibitor NPD-007 | ||||
| REF 15 | hPDE4D2 structure with inhibitor NPD-617 | ||||
| REF 16 | hPDE4D2 structure with inhibitor NPD-769 | ||||
| REF 17 | hPDE4D2 structure with inhibitor NPD-1439 | ||||
| REF 18 | hPDE4D2 structure with inhibitor NPD-226 | ||||
| REF 19 | hPDE4D2 structure with inhibitor NPD-1086 | ||||
| REF 20 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg Med Chem. 2019 Sep 15;27(18):4013-4029. | ||||
| REF 21 | hPDE4D2 structure with inhibitor NPD-356 | ||||
| REF 22 | hPDE4D2 structure with inhibitor NPD-637 | ||||
| REF 23 | hPDE4D2 structure with inhibitor NPD-425 | ||||
| REF 24 | hPDE4D2 structure with inhibitor NPD-1361 | ||||
| REF 25 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg Med Chem. 2019 Sep 15;27(18):3998-4012. | ||||
| REF 26 | hPDE4D2 structure with inhibitor NPD-656 | ||||
| REF 27 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J Med Chem. 2018 May 10;61(9):3870-3888. | ||||
| REF 28 | hPDE4D2 structure with inhibitor NPD-417 | ||||
| REF 29 | Airway relaxation mechanisms and structural basis of osthole for improving lung function in asthma. Sci Signal. 2020 Nov 24;13(659):eaax0273. | ||||
| REF 30 | hPDE4D2 structure with inhibitor NPD-3098 | ||||
| REF 31 | hPDE4D2 structure with inhibitor NPD-768 | ||||
| REF 32 | Thiophene inhibitors of PDE4: crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg Med Chem Lett. 2011 Dec 1;21(23):7089-93. | ||||
| REF 33 | Enantiomer discrimination illustrated by the high resolution crystal structures of type 4 phosphodiesterase. J Med Chem. 2006 Mar 23;49(6):1867-73. | ||||
| REF 34 | The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors | ||||
| REF 35 | Stereoselective synthesis of novel pyrazole derivatives using tert-butansulfonamide as a chiral auxiliary. Org Biomol Chem. 2012 Apr 7;10(13):2613-20. | ||||
| REF 36 | Discovery and early clinical development of 2-{6-[2-(3,5-dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a soft-drug inhibitor of phosphodiesterase 4 for topical treatment of atopic dermatitis. J Med Chem. 2014 Jul 24;57(14):5893-903. | ||||
| REF 37 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design. Nat Biotechnol. 2005 Feb;23(2):201-7. | ||||
| REF 38 | Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation. J Adv Res. 2021 Mar 4;33:241-251. | ||||
| REF 39 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J Med Chem. 2019 Jun 13;62(11):5579-5593. | ||||
| REF 40 | The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone | ||||
| REF 41 | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry. 2018 May 15;57(19):2876-2888. | ||||
| REF 42 | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur J Med Chem. 2021 Nov 5;223:113638. | ||||
| REF 43 | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata. Biochem Pharmacol. 2017 Apr 15;130:51-59. | ||||
| REF 44 | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors. Biochem J. 2007 Dec 1;408(2):193-201. | ||||
| REF 45 | Discovery and Optimization of Alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia. J Med Chem. 2020 Mar 26;63(6):3370-3380. | ||||
| REF 46 | Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem. 2016 Dec 8;59(23):10479-10497. | ||||
| REF 47 | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem. 2018 Mar 22;61(6):2472-2489. | ||||
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