7XYW
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7XYX
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7XYS
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7XYU
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5HMK
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![BU of 5hmk by Molmil](/molmil-images/mine/5hmk) | HDM2 in complex with a 3,3-Disubstituted Piperidine | 分子名称: | E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone | 著者 | Scapin, G. | 登録日 | 2016-01-16 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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4LWG
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![BU of 4lwg by Molmil](/molmil-images/mine/4lwg) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4 | 分子名称: | 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha | 著者 | Li, J, Shi, F, Xiong, B, He, J. | 登録日 | 2013-07-27 | 公開日 | 2014-07-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWF
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![BU of 4lwf by Molmil](/molmil-images/mine/4lwf) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | 分子名称: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | 著者 | Li, J, Shi, F, Xiong, B, He, J. | 登録日 | 2013-07-27 | 公開日 | 2014-07-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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8EL0
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![BU of 8el0 by Molmil](/molmil-images/mine/8el0) | Structure of MBP-Mcl-1 in complex with a macrocyclic compound | 分子名称: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EL1
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![BU of 8el1 by Molmil](/molmil-images/mine/8el1) | Structure of MBP-Mcl-1 in complex with ABBV-467 | 分子名称: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EKX
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![BU of 8ekx by Molmil](/molmil-images/mine/8ekx) | Structure of MBP-Mcl-1 in complex with MIK665 | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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5I9D
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![BU of 5i9d by Molmil](/molmil-images/mine/5i9d) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2 | 分子名称: | RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2 | 著者 | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-02-20 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.596 Å) | 主引用文献 | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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5I9H
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![BU of 5i9h by Molmil](/molmil-images/mine/5i9h) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2 | 分子名称: | RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2 | 著者 | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-02-20 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | 主引用文献 | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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5I9G
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![BU of 5i9g by Molmil](/molmil-images/mine/5i9g) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2 | 分子名称: | RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2 | 著者 | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-02-20 | 公開日 | 2016-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.288 Å) | 主引用文献 | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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6AFR
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![BU of 6afr by Molmil](/molmil-images/mine/6afr) | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | 分子名称: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | 著者 | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | 登録日 | 2018-08-08 | 公開日 | 2018-12-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
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4LNP
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![BU of 4lnp by Molmil](/molmil-images/mine/4lnp) | The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | 分子名称: | Sorbin and SH3 domain-containing protein 1, Vinculin | 著者 | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | 登録日 | 2013-07-11 | 公開日 | 2014-05-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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4Z8M
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![BU of 4z8m by Molmil](/molmil-images/mine/4z8m) | Crystal structure of the MAVS-TRAF6 complex | 分子名称: | Peptide from Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 6 | 著者 | Shi, Z.B, Zhou, Z. | 登録日 | 2015-04-09 | 公開日 | 2015-09-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural Insights into Mitochondrial Antiviral Signaling Protein (MAVS)-Tumor Necrosis Factor Receptor-associated Factor 6 (TRAF6) Signaling J.Biol.Chem., 290, 2015
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1FEW
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![BU of 1few by Molmil](/molmil-images/mine/1few) | CRYSTAL STRUCTURE OF SMAC/DIABLO | 分子名称: | SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES | 著者 | Chai, J, Shi, Y. | 登録日 | 2000-07-23 | 公開日 | 2000-09-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and biochemical basis of apoptotic activation by Smac/DIABLO. Nature, 406, 2000
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4LWH
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![BU of 4lwh by Molmil](/molmil-images/mine/4lwh) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | 分子名称: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide | 著者 | Li, J, Shi, F, Xiong, B, He, J. | 登録日 | 2013-07-27 | 公開日 | 2014-07-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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5I9F
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![BU of 5i9f by Molmil](/molmil-images/mine/5i9f) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U10 in complex with its target RNA U10 | 分子名称: | RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U10 | 著者 | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, Y. | 登録日 | 2016-02-20 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | 主引用文献 | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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4LN2
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![BU of 4ln2 by Molmil](/molmil-images/mine/4ln2) | The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | 分子名称: | Sorbin and SH3 domain-containing protein 1, proline rich peptide | 著者 | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | 登録日 | 2013-07-11 | 公開日 | 2014-05-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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5CNK
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![BU of 5cnk by Molmil](/molmil-images/mine/5cnk) | mglur3 with glutamate | 分子名称: | GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3 | 著者 | Monn, J.A, Clawson, D.K. | 登録日 | 2015-07-17 | 公開日 | 2015-09-09 | 最終更新日 | 2023-02-15 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5CNJ
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![BU of 5cnj by Molmil](/molmil-images/mine/5cnj) | mGlur2 with glutamate analog | 分子名称: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | 著者 | Monn, J.A, Clawson, D.K. | 登録日 | 2015-07-17 | 公開日 | 2015-09-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5HMI
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![BU of 5hmi by Molmil](/molmil-images/mine/5hmi) | HDM2 in complex with a 3,3-Disubstituted Piperidine | 分子名称: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone | 著者 | Scapin, G. | 登録日 | 2016-01-16 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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1G73
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![BU of 1g73 by Molmil](/molmil-images/mine/1g73) | CRYSTAL STRUCTURE OF SMAC BOUND TO XIAP-BIR3 DOMAIN | 分子名称: | INHIBITORS OF APOPTOSIS-LIKE PROTEIN ILP, SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES, ZINC ION | 著者 | Wu, G, Chai, J, Suber, T.L, Wu, J.-W, Shi, Y. | 登録日 | 2000-11-08 | 公開日 | 2001-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of IAP recognition by Smac/DIABLO. Nature, 408, 2000
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4LWE
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![BU of 4lwe by Molmil](/molmil-images/mine/4lwe) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | 分子名称: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | 著者 | Li, J, Shi, F, Xiong, B, He, J. | 登録日 | 2013-07-27 | 公開日 | 2014-07-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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