6H6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h6q by Molmil](/molmil-images/mine/6h6q) | Fragment Derived XIAP inhibitor | 分子名称: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Williams, P.A. | 登録日 | 2018-07-30 | 公開日 | 2018-08-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
|
|
1AOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aoq by Molmil](/molmil-images/mine/1aoq) | |
1AOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aof by Molmil](/molmil-images/mine/1aof) | |
1AOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aom by Molmil](/molmil-images/mine/1aom) | |
1ADW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1adw by Molmil](/molmil-images/mine/1adw) | PSEUDOAZURIN | 分子名称: | COPPER (II) ION, PSEUDOAZURIN | 著者 | Williams, P.A. | 登録日 | 1997-02-18 | 公開日 | 1997-05-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Pseudospecific docking surfaces on electron transfer proteins as illustrated by pseudoazurin, cytochrome c550 and cytochrome cd1 nitrite reductase. Nat.Struct.Biol., 2, 1995
|
|
5M6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6l by Molmil](/molmil-images/mine/5m6l) | Small Molecule inhibitors of IAP | 分子名称: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
|
|
5M6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6m by Molmil](/molmil-images/mine/5m6m) | Small Molecule inhibitors of IAP | 分子名称: | 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
|
|
5M6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6h by Molmil](/molmil-images/mine/5m6h) | Small Molecule inhibitors of IAP | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
|
|
5M6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6f by Molmil](/molmil-images/mine/5m6f) | Small Molecule inhibitors of IAP | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
|
|
5M6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6e by Molmil](/molmil-images/mine/5m6e) | Small Molecule inhibitors of IAP | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase XIAP, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
|
|
5M6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6n by Molmil](/molmil-images/mine/5m6n) | Small Molecule inhibitors of IAP | 分子名称: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, Baculoviral IAP repeat-containing protein 2, SULFATE ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
|
|
7BJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bj6 by Molmil](/molmil-images/mine/7bj6) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Williams, P.A. | 登録日 | 2021-01-14 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
7BIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bit by Molmil](/molmil-images/mine/7bit) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
7BIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7biv by Molmil](/molmil-images/mine/7biv) | Inhibitor of MDM2-p53 Interaction | 分子名称: | 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
7BIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bir by Molmil](/molmil-images/mine/7bir) | Inhibitor of MDM2-p53 Interaction | 分子名称: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
7BJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bj0 by Molmil](/molmil-images/mine/7bj0) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2 | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
7BMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bmg by Molmil](/molmil-images/mine/7bmg) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2 | 著者 | Williams, P.A. | 登録日 | 2021-01-20 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
1W6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w6s by Molmil](/molmil-images/mine/1w6s) | The high resolution structure of methanol dehydrogenase from methylobacterium extorquens | 分子名称: | CALCIUM ION, GLYCEROL, METHANOL DEHYDROGENASE SUBUNIT 1, ... | 著者 | Williams, P.A, Coates, L, Mohammed, F, Gill, R, Erskine, P.T, Wood, S.P, Anthony, C, Cooper, J.B. | 登録日 | 2004-08-23 | 公開日 | 2004-12-21 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | The Atomic Resolution Structure of Methanol Dehydrogenase from Methylobacterium Extorquens Acta Crystallogr.,Sect.D, 61, 2005
|
|
2C8S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c8s by Molmil](/molmil-images/mine/2c8s) | CYTOCHROME CL FROM METHYLOBACTERIUM EXTORQUENS | 分子名称: | CALCIUM ION, CYTOCHROME C-L, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Williams, P.A, Coates, L, Mohammed, F, Gill, R, Erskine, P.T, Wood J, S.P, Cooper, B, Anthony, C. | 登録日 | 2005-12-06 | 公開日 | 2005-12-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The 1.6A X-Ray Structure of the Unusual C-Type Cytochrome, Cytochrome Cl, from the Methylotrophic Bacterium Methylobacterium Extorquens. J.Mol.Biol., 357, 2006
|
|
1W0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w0g by Molmil](/molmil-images/mine/1w0g) | Crystal structure of human cytochrome P450 3A4 | 分子名称: | CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | 登録日 | 2004-06-03 | 公開日 | 2004-07-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science, 305, 2004
|
|
1W0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w0f by Molmil](/molmil-images/mine/1w0f) | Crystal structure of human cytochrome P450 3A4 | 分子名称: | CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | 登録日 | 2004-06-03 | 公開日 | 2004-07-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science, 305, 2004
|
|
1W0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w0e by Molmil](/molmil-images/mine/1w0e) | Crystal structure of human cytochrome P450 3A4 | 分子名称: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | 登録日 | 2004-06-03 | 公開日 | 2004-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science, 305, 2004
|
|
6H6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h6r by Molmil](/molmil-images/mine/6h6r) | Fragment Derived XIAP inhibitor | 分子名称: | 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2018-07-30 | 公開日 | 2018-08-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
|
|
1UOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uot by Molmil](/molmil-images/mine/1uot) | HUMAN CD55 DOMAINS 3 & 4 | 分子名称: | COMPLEMENT DECAY-ACCELERATING FACTOR | 著者 | Williams, P, Chaudhry, Y, Goodfellow, I.G, Billington, J, Spiller, B, Evans, D.J, Lea, S.M. | 登録日 | 2003-09-23 | 公開日 | 2003-09-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Mapping Cd55 Function. The Structure of Two Pathogen-Binding Domains at 1.7 A J.Biol.Chem., 278, 2003
|
|
2CUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cua by Molmil](/molmil-images/mine/2cua) | THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS | 分子名称: | DINUCLEAR COPPER ION, PROTEIN (CUA), ZINC ION | 著者 | Williams, P.A, Blackburn, N.J, Sanders, D, Bellamy, H, Stura, E.A, Fee, J.A, Mcree, D.E. | 登録日 | 1999-02-18 | 公開日 | 1999-05-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution. Nat.Struct.Biol., 6, 1999
|
|