7C29
| Esterase CrmE10 mutant-D178A | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Li, Z, Li, J. | 登録日 | 2020-05-07 | 公開日 | 2020-05-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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5EHP
| Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836 | 分子名称: | 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Stams, T, Fodor, M. | 登録日 | 2015-10-28 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor. J.Med.Chem., 59, 2016
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7C82
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1G72
| CATALYTIC MECHANISM OF QUINOPROTEIN METHANOL DEHYDROGENASE: A THEORETICAL AND X-RAY CRYSTALLOGRAPHIC INVESTIGATION | 分子名称: | CALCIUM ION, METHANOL DEHYDROGENASE HEAVY SUBUNIT, METHANOL DEHYDROGENASE LIGHT SUBUNIT, ... | 著者 | Zheng, Y, Xia, Z, Chen, Z, Bruice, T.C, Mathews, F.S. | 登録日 | 2000-11-08 | 公開日 | 2001-01-24 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation. Proc.Natl.Acad.Sci.USA, 98, 2001
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3C1X
| Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-MET in complex with a Pyrrolotriazine based inhibitor | 分子名称: | Hepatocyte growth factor receptor, N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide | 著者 | Sack, J. | 登録日 | 2008-01-24 | 公開日 | 2008-03-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Identification of pyrrolo[2,1-f][1,2,4]triazine-based inhibitors of Met kinase. Bioorg.Med.Chem.Lett., 18, 2008
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5J9U
| Crystal structure of the NuA4 core complex | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | 著者 | Chen, Z.C, Xu, P. | 登録日 | 2016-04-11 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
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5J9T
| Crystal structure of the NuA4 core complex | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | 著者 | Chen, Z.C, Xu, P. | 登録日 | 2016-04-11 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
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5J9Q
| Crystal structure of the NuA4 core complex | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | 著者 | Chen, Z.C, Xu, P. | 登録日 | 2016-04-11 | 公開日 | 2016-10-26 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
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5J9W
| Crystal structure of the NuA4 core complex | 分子名称: | ACETYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ... | 著者 | Chen, Z.C, Xu, P. | 登録日 | 2016-04-11 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
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5JKG
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2A4R
| HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | 分子名称: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | 著者 | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | 登録日 | 2005-06-29 | 公開日 | 2006-07-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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5IXS
| Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | 分子名称: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | 著者 | Ultsch, M, Eigenbrot, C. | 登録日 | 2016-03-23 | 公開日 | 2016-09-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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5MZ3
| P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | 著者 | Cowan-Jacob, S.W, Scheufler, C. | 登録日 | 2017-01-30 | 公開日 | 2017-11-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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7C2I
| Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization) | 分子名称: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | 著者 | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | 登録日 | 2020-05-07 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design. Signal Transduct Target Ther, 5, 2020
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1RYG
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1RYV
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8W8D
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5IHC
| MELK in complex with NVS-MELK12B | 分子名称: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Brazell, T. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IHA
| MELK in complex with NVS-MELK8F | 分子名称: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Brazell, T. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH8
| MELK in complex with NVS-MELK1 | 分子名称: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | 著者 | Sprague, E.R, Puleo, D.E. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH9
| MELK in complex with NVS-MELK8A | 分子名称: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Puleo, D.E. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5K00
| MELK in complex with NVS-MELK5 | 分子名称: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R. | 登録日 | 2016-05-17 | 公開日 | 2017-03-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors. J. Med. Chem., 60, 2017
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5BXJ
| Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol | 分子名称: | P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X. | 登録日 | 2015-06-09 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells J. Hazard. Mater., 307, 2016
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6KMH
| The crystal structure of CASK/Mint1 complex | 分子名称: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | 著者 | Li, W, Feng, W. | 登録日 | 2019-07-31 | 公開日 | 2020-08-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion. Cell Discov, 6, 2020
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7SD5
| Crystallographic structure of neutralizing antibody 10-40 in complex with SARS-CoV-2 spike receptor binding domain | 分子名称: | 10-40 Heavy chain, 10-40 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Reddem, E.R, Casner, R.G, Shapiro, L. | 登録日 | 2021-09-29 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses. Sci Transl Med, 14, 2022
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