6KEK
 
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | 分子名称: | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | 著者 | Lee, B.I, Park, T.H. | | 登録日 | 2019-07-04 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | | 主引用文献 | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6KEI
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | 分子名称: | 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | 著者 | Lee, B.I, Park, T.H. | | 登録日 | 2019-07-04 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | | 主引用文献 | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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7LHB
 | | Crystal structure of Bcl-2 in complex with prodrug ABBV-167 | | 分子名称: | Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | | 著者 | Judge, R.A, Salem, A.H. | | 登録日 | 2021-01-21 | | 公開日 | 2021-04-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.068 Å) | | 主引用文献 | Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
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2PK4
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1FAX
 | | COAGULATION FACTOR XA INHIBITOR COMPLEX | | 分子名称: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA | | 著者 | Brandstetter, H, Engh, R.A. | | 登録日 | 1996-08-23 | | 公開日 | 1997-10-29 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition.
J.Biol.Chem., 271, 1996
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3DTC
 | | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | | 分子名称: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | | 著者 | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | 登録日 | 2008-07-14 | | 公開日 | 2009-03-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
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2PF2
 | | THE CA+2 ION AND MEMBRANE BINDING STRUCTURE OF THE GLA DOMAIN OF CA-PROTHROMBIN FRAGMENT 1 | | 分子名称: | CALCIUM ION, PROTHROMBIN FRAGMENT 1 | | 著者 | Soriano-Garcia, M, Padmanabhan, K, De vos, A.M, Tulinsky, A. | | 登録日 | 1991-12-08 | | 公開日 | 1994-01-31 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Ca2+ ion and membrane binding structure of the Gla domain of Ca-prothrombin fragment 1.
Biochemistry, 31, 1992
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1QB1
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1WU1
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1XKA
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1XKB
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1ADZ
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1CEA
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1CEB
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1V3X
 | | Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine | | 分子名称: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | | 著者 | Suzuki, M. | | 登録日 | 2003-11-07 | | 公開日 | 2004-11-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
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1TFX
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1IQG
 | | Human coagulation factor Xa in complex with M55159 | | 分子名称: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQN
 | | Human coagulation factor Xa in complex with M55192 | | 分子名称: | 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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2SPT
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1IQH
 | | Human coagulation factor Xa in complex with M55143 | | 分子名称: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQK
 | | Human coagulation factor Xa in complex with M55113 | | 分子名称: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQI
 | | Human coagulation factor Xa in complex with M55125 | | 分子名称: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQJ
 | | Human coagulation factor Xa in complex with M55124 | | 分子名称: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQE
 | | Human coagulation factor Xa in complex with M55590 | | 分子名称: | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQM
 | | Human coagulation factor Xa in complex with M54471 | | 分子名称: | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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