5WMD
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![BU of 5wmd by Molmil](/molmil-images/mine/5wmd) | N-terminal bromodomain of BRD4 in complex with OTX-015 | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | 著者 | Zhang, Y. | 登録日 | 2017-07-28 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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7RSA
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![BU of 7rsa by Molmil](/molmil-images/mine/7rsa) | |
8B5G
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![BU of 8b5g by Molmil](/molmil-images/mine/8b5g) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5H
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![BU of 8b5h by Molmil](/molmil-images/mine/8b5h) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5I
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![BU of 8b5i by Molmil](/molmil-images/mine/8b5i) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5J
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![BU of 8b5j by Molmil](/molmil-images/mine/8b5j) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8AN8
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![BU of 8an8 by Molmil](/molmil-images/mine/8an8) | Crystal structure of wild-type c-MET bound by compound 7. | 分子名称: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION | 著者 | Collie, G.W. | 登録日 | 2022-08-04 | 公開日 | 2022-08-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | 主引用文献 | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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8ANS
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![BU of 8ans by Molmil](/molmil-images/mine/8ans) | Crystal structure of D1228V c-MET bound by compound 1. | 分子名称: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2022-08-05 | 公開日 | 2022-08-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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6ZQO
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![BU of 6zqo by Molmil](/molmil-images/mine/6zqo) | EYFP mutant - F165G | 分子名称: | G protein/GFP fusion protein, SULFATE ION | 著者 | Pletnev, V.Z, Pletnev, S.V, Pletneva, N.V. | 登録日 | 2020-07-10 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Amino acid residue at the 165th position tunes EYFP chromophore maturation. A structure-based design. Comput Struct Biotechnol J, 19, 2021
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7A0S
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![BU of 7a0s by Molmil](/molmil-images/mine/7a0s) | 50S Deinococcus radiodurans ribosome bounded with mycinamicin I | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | 登録日 | 2020-08-10 | 公開日 | 2021-08-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida. Nucleic Acids Res., 49, 2021
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7A0R
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![BU of 7a0r by Molmil](/molmil-images/mine/7a0r) | 50S Deinococcus radiodurans ribosome bounded with mycinamicin I | 分子名称: | 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ... | 著者 | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | 登録日 | 2020-08-10 | 公開日 | 2021-08-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida. Nucleic Acids Res., 49, 2021
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7A18
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![BU of 7a18 by Molmil](/molmil-images/mine/7a18) | 50S Deinococcus radiodurans ribosome bounded with mycinamicin IV | 分子名称: | 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ... | 著者 | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | 登録日 | 2020-08-12 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida. Nucleic Acids Res., 49, 2021
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4ANL
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![BU of 4anl by Molmil](/molmil-images/mine/4anl) | |
7B42
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![BU of 7b42 by Molmil](/molmil-images/mine/7b42) | Crystal structure of c-MET bound by compound 8 | 分子名称: | 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-02 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B3W
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![BU of 7b3w by Molmil](/molmil-images/mine/7b3w) | Crystal structure of c-MET bound by compound 4 | 分子名称: | 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B3Q
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![BU of 7b3q by Molmil](/molmil-images/mine/7b3q) | Crystal structure of c-MET bound by compound 1 | 分子名称: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one, Hepatocyte growth factor receptor, SULFATE ION | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B43
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![BU of 7b43 by Molmil](/molmil-images/mine/7b43) | Crystal structure of c-MET bound by compound 9 | 分子名称: | 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-02 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B40
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![BU of 7b40 by Molmil](/molmil-images/mine/7b40) | Crystal structure of c-MET bound by compound 6 | 分子名称: | 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B3Z
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![BU of 7b3z by Molmil](/molmil-images/mine/7b3z) | Crystal structure of c-MET bound by compound 5 | 分子名称: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B3V
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![BU of 7b3v by Molmil](/molmil-images/mine/7b3v) | Crystal structure of c-MET bound by compound 3 | 分子名称: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B44
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![BU of 7b44 by Molmil](/molmil-images/mine/7b44) | Crystal structure of c-MET bound by compound S1 | 分子名称: | 5-methoxy-1~{H}-indazole, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor, ... | 著者 | Collie, G.W. | 登録日 | 2020-12-02 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B3T
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![BU of 7b3t by Molmil](/molmil-images/mine/7b3t) | Crystal structure of c-MET bound by compound 2 | 分子名称: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Hepatocyte growth factor receptor, ... | 著者 | Collie, G.W. | 登録日 | 2020-12-01 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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7B41
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![BU of 7b41 by Molmil](/molmil-images/mine/7b41) | Crystal structure of c-MET bound by compound 7 | 分子名称: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2020-12-02 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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4ANQ
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![BU of 4anq by Molmil](/molmil-images/mine/4anq) | Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A. | 登録日 | 2012-03-21 | 公開日 | 2013-03-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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4CCU
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![BU of 4ccu by Molmil](/molmil-images/mine/4ccu) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | 分子名称: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | 登録日 | 2013-10-28 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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