7VXM
 
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7WEV
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7W5E
 | | Oxidase ChaP D49L mutant | | 分子名称: | ChaP, FE (III) ION | | 著者 | Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R. | | 登録日 | 2021-11-30 | | 公開日 | 2022-10-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7VGG
 | | Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1 | | 分子名称: | E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8 | | 著者 | Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P. | | 登録日 | 2021-09-16 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insight into UV-B-activated UVR8 bound to COP1.
Sci Adv, 8, 2022
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7WCY
 | | Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | 著者 | Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
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6KZI
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | | 分子名称: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | | 登録日 | 2019-09-24 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6KVA
 | | Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope | | 分子名称: | 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ... | | 著者 | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
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6KVF
 | | Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope | | 分子名称: | Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain | | 著者 | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | 登録日 | 2019-09-04 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
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4QZV
 | | Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | 著者 | Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W. | | 登録日 | 2014-07-29 | | 公開日 | 2014-10-29 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.592 Å) | | 主引用文献 | Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
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4NLD
 | | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | | 分子名称: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | | 著者 | Sheriff, S. | | 登録日 | 2013-11-14 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
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6LS5
 | | Structure of human liver FBPase complexed with covalent allosteric inhibitor | | 分子名称: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | 著者 | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | | 登録日 | 2020-01-17 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.031 Å) | | 主引用文献 | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.
J.Med.Chem., 63, 2020
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | 分子名称: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-11-07 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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6N0P
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6IHJ
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6IEW
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5VAM
 | | BRAF in Complex with RAF709 | | 分子名称: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2017-03-27 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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5VAL
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6VSJ
 | | Cryo-electron microscopy structure of mouse coronavirus spike protein complexed with its murine receptor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, Spike glycoprotein | | 著者 | Shang, J, Wan, Y.S, Liu, C, Yount, B, Gully, K, Yang, Y, Auerbach, A, Peng, G.Q, Baric, R, Li, F. | | 登録日 | 2020-02-11 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.94 Å) | | 主引用文献 | Structure of mouse coronavirus spike protein complexed with receptor reveals mechanism for viral entry.
Plos Pathog., 16, 2020
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6VW1
 | | Structure of SARS-CoV-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shang, J, Ye, G, Shi, K, Wan, Y.S, Aihara, H, Li, F. | | 登録日 | 2020-02-18 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structural basis of receptor recognition by SARS-CoV-2.
Nature, 581, 2020
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7YF7
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4QGE
 | | phosphodiesterase-9A in complex with inhibitor WYQ-C36D | | 分子名称: | MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ... | | 著者 | Shao, Y.-X, Huang, M, Cui, W, Ke, H. | | 登録日 | 2014-05-22 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
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4Y87
 | | Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) | | 分子名称: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Huang, M. | | 登録日 | 2015-02-16 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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4Y8C
 | | Crystal structure of phosphodiesterase 9 in complex with (S)-C33 | | 分子名称: | 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Huang, M. | | 登録日 | 2015-02-16 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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4Y86
 | | Crystal structure of PDE9 in complex with racemic inhibitor C33 | | 分子名称: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | | 著者 | Huang, M. | | 登録日 | 2015-02-16 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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7XUX
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