6W2J
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![BU of 6w2j by Molmil](/molmil-images/mine/6w2j) | CPS1 bound to allosteric inhibitor H3B-374 | 分子名称: | (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ... | 著者 | Larsen, N.A, Nguyen, T.V. | 登録日 | 2020-03-05 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. Acs Med.Chem.Lett., 11, 2020
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1RX0
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![BU of 1rx0 by Molmil](/molmil-images/mine/1rx0) | Crystal structure of isobutyryl-CoA dehydrogenase complexed with substrate/ligand. | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Acyl-CoA dehydrogenase family member 8, ... | 著者 | Battaile, K.P, Nguyen, T.V, Vockley, J, Kim, J.J. | 登録日 | 2003-12-18 | 公開日 | 2004-04-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structures of Isobutyryl-CoA Dehydrogenase and Enzyme-Product Complex: COMPARISON WITH ISOVALERYL- AND SHORT-CHAIN ACYL-COA DEHYDROGENASES. J.Biol.Chem., 279, 2004
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6UEL
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![BU of 6uel by Molmil](/molmil-images/mine/6uel) | CPS1 bound to allosteric inhibitor H3B-193 | 分子名称: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | 著者 | Larsen, N.A, Nguyen, T.V. | 登録日 | 2019-09-21 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket. Cell Chem Biol, 27, 2020
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8HHG
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![BU of 8hhg by Molmil](/molmil-images/mine/8hhg) | |
8HHH
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![BU of 8hhh by Molmil](/molmil-images/mine/8hhh) | |
8HHF
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![BU of 8hhf by Molmil](/molmil-images/mine/8hhf) | |
7OPI
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![BU of 7opi by Molmil](/molmil-images/mine/7opi) | |
7ONB
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![BU of 7onb by Molmil](/molmil-images/mine/7onb) | |
7OMF
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![BU of 7omf by Molmil](/molmil-images/mine/7omf) | |
7B0I
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![BU of 7b0i by Molmil](/molmil-images/mine/7b0i) | Structure of a minimal SF3B core in complex with spliceostatin A (form II) | 分子名称: | PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3,Splicing factor 3B subunit 3,Splicing factor 3B subunit 3, ... | 著者 | Cretu, C, Pena, V. | 登録日 | 2020-11-19 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors. Nat Commun, 12, 2021
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7B92
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7B9C
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![BU of 7b9c by Molmil](/molmil-images/mine/7b9c) | |
7B91
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2020-02-26 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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7KIA
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![BU of 7kia by Molmil](/molmil-images/mine/7kia) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | 分子名称: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | 著者 | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | 登録日 | 2020-10-23 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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7KIE
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![BU of 7kie by Molmil](/molmil-images/mine/7kie) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | 分子名称: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | 著者 | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | 登録日 | 2020-10-23 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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7YCK
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![BU of 7yck by Molmil](/molmil-images/mine/7yck) | Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A 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, FP-12A Fab heavy chain, FP-12A Fab light chain, ... | 著者 | Nguyen, V.H.T, Chen, X. | 登録日 | 2022-07-01 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2. Nat Commun, 14, 2023
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8YRP
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![BU of 8yrp by Molmil](/molmil-images/mine/8yrp) | SARS-CoV-2 Delta Spike in complex with JM-1A | 分子名称: | JM-1A Heavy Chain, JM-1A Light Chain, Spike glycoprotein | 著者 | Nguyen, V.H.T, Chen, X. | 登録日 | 2024-03-21 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | 主引用文献 | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8YRO
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![BU of 8yro by Molmil](/molmil-images/mine/8yro) | SARS-CoV-2 Delta Spike in complex with JL-8C | 分子名称: | JL-8C Heavy Chain, JL-8C Light Chain, Spike glycoprotein | 著者 | Nguyen, V.H.T, Chen, X. | 登録日 | 2024-03-21 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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7YCL
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![BU of 7ycl by Molmil](/molmil-images/mine/7ycl) | Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A 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, IS-9A Fab heavy chain, IS-9A Fab light chain, ... | 著者 | Mohapatra, A, Chen, X. | 登録日 | 2022-07-01 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2. Nat Commun, 14, 2023
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7YCN
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8YZ5
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![BU of 8yz5 by Molmil](/molmil-images/mine/8yz5) | SARS-CoV-2 Delta Spike in complex with Fab of JE-5C | 分子名称: | Fab heavy chain of JE-5C, Fab light chain of JE-5C, Spike glycoprotein | 著者 | Chen, X, Wu, Y.-M. | 登録日 | 2024-04-06 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | 主引用文献 | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8YZ6
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![BU of 8yz6 by Molmil](/molmil-images/mine/8yz6) | SARS-CoV-2 Spike (BA.1) in complex with Fab of JH-8B | 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, Fab heavy chain of JH-8B, ... | 著者 | Chen, X, Wu, Y.-M. | 登録日 | 2024-04-06 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (4.55 Å) | 主引用文献 | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8X0X
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![BU of 8x0x by Molmil](/molmil-images/mine/8x0x) | Crystal structure of JE-5C in complex with SARS-CoV-2 RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ... | 著者 | Mohapatra, A, Chen, X. | 登録日 | 2023-11-06 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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