7FJM
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![BU of 7fjm by Molmil](/molmil-images/mine/7fjm) | Cryo EM structure of lysosomal ATPase | 分子名称: | Polyamine-transporting ATPase 13A2 | 著者 | Zhang, S.S. | 登録日 | 2021-08-04 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2. Cell Discov, 7, 2021
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7FJQ
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![BU of 7fjq by Molmil](/molmil-images/mine/7fjq) | Cryo EM structure of lysosomal ATPase | 分子名称: | Polyamine-transporting ATPase 13A2, SPERMINE | 著者 | Zhang, S.S. | 登録日 | 2021-08-04 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2. Cell Discov, 7, 2021
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7FJP
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![BU of 7fjp by Molmil](/molmil-images/mine/7fjp) | Cryo EM structure of lysosomal ATPase | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Zhang, S.S. | 登録日 | 2021-08-04 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2. Cell Discov, 7, 2021
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7F65
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![BU of 7f65 by Molmil](/molmil-images/mine/7f65) | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | 分子名称: | BENZOIC ACID, Cocaine esterase, SULFATE ION | 著者 | Ouyang, P.F, Zhang, Y, Tong, J. | 登録日 | 2021-06-24 | 公開日 | 2021-09-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase. Angew.Chem.Int.Ed.Engl., 60, 2021
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2ATH
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![BU of 2ath by Molmil](/molmil-images/mine/2ath) | Crystal structure of the ligand binding domain of human PPAR-gamma im complex with an agonist | 分子名称: | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID, Peroxisome proliferator activated receptor gamma | 著者 | Mahindroo, N, Huang, C.-F, Wu, S.-Y, Hsieh, H.-P. | 登録日 | 2005-08-25 | 公開日 | 2006-08-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Novel indole-based peroxisome proliferator-activated receptor agonists: design, SAR, structural biology, and biological activities J.Med.Chem., 48, 2005
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4U7O
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![BU of 4u7o by Molmil](/molmil-images/mine/4u7o) | Active histidine kinase bound with ATP | 分子名称: | AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein | 著者 | Cai, Y, Hu, X, Sang, J. | 登録日 | 2014-07-31 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | 主引用文献 | Conformational dynamics of the essential sensor histidine kinase WalK. Acta Crystallogr D Struct Biol, 73, 2017
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5WCC
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![BU of 5wcc by Molmil](/molmil-images/mine/5wcc) | Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 02-1F07 Fab. | 分子名称: | GLYCEROL, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ... | 著者 | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | 登録日 | 2017-06-29 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.461 Å) | 主引用文献 | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans. Sci Immunol, 2, 2017
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1EQM
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![BU of 1eqm by Molmil](/molmil-images/mine/1eqm) | CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE | 分子名称: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Xiao, B, Blaszczyk, J, Ji, X. | 登録日 | 2000-04-05 | 公開日 | 2001-04-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR. J.Biol.Chem., 276, 2001
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6QSU
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![BU of 6qsu by Molmil](/molmil-images/mine/6qsu) | |
1RTZ
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![BU of 1rtz by Molmil](/molmil-images/mine/1rtz) | |
6WFK
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![BU of 6wfk by Molmil](/molmil-images/mine/6wfk) | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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1RAO
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5WHT
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![BU of 5wht by Molmil](/molmil-images/mine/5wht) | Crystal structure of 3'SL bound PltB | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ... | 著者 | Gao, X, Galan, J.E. | 登録日 | 2017-07-18 | 公開日 | 2017-10-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | 主引用文献 | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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8H6T
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8H6P
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![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | 分子名称: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | Ren, X. | 登録日 | 2022-10-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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8Y22
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![BU of 8y22 by Molmil](/molmil-images/mine/8y22) | FGFR1 kinase domain with a covalent inhibitor 9g | 分子名称: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide | 著者 | Chen, X.J, Chen, Y.H. | 登録日 | 2024-01-25 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | 主引用文献 | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors. Eur.J.Med.Chem., 275, 2024
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8XZ7
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![BU of 8xz7 by Molmil](/molmil-images/mine/8xz7) | FGFR1 kinase domain with a covalent inhibitor 10h | 分子名称: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Chen, X.J, Chen, Y.H. | 登録日 | 2024-01-20 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors. Eur.J.Med.Chem., 275, 2024
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4U7N
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![BU of 4u7n by Molmil](/molmil-images/mine/4u7n) | Inactive structure of histidine kinase | 分子名称: | Histidine protein kinase sensor protein | 著者 | Cai, Y, Hu, X, Sang, J. | 登録日 | 2014-07-31 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Conformational dynamics of the essential sensor histidine kinase WalK. Acta Crystallogr D Struct Biol, 73, 2017
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8QJT
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![BU of 8qjt by Molmil](/molmil-images/mine/8qjt) | BRM (SMARCA2) Bromodomain in complex with ligand 10 | 分子名称: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.568 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJR
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![BU of 8qjr by Molmil](/molmil-images/mine/8qjr) | BRG1 bromodomain in complex with VBC via compound 17 | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJS
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![BU of 8qjs by Molmil](/molmil-images/mine/8qjs) | VHL/Elongin B/Elongin C complex with compound 155 | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.191 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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6DWO
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8Y7L
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7PQY
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![BU of 7pqy by Molmil](/molmil-images/mine/7pqy) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FI-3A Fab heavy chain, FI-3A Fab light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D. | 登録日 | 2021-09-20 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2. Theranostics, 12, 2022
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7PQZ
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![BU of 7pqz by Molmil](/molmil-images/mine/7pqz) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FD-11A Fab heavy chain, FD-11A Fab light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-09-20 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2. Theranostics, 12, 2022
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