4JSW
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![BU of 4jsw by Molmil](/molmil-images/mine/4jsw) | Human carbonic anhydrase II H94C | 分子名称: | Carbonic anhydrase 2, ZINC ION | 著者 | Martin, D.P, Hann, Z.S, Cohen, S.M. | 登録日 | 2013-03-22 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
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7B3N
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![BU of 7b3n by Molmil](/molmil-images/mine/7b3n) | AmiP amidase-3 from Thermus parvatiensis | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cell wall hydrolase, ... | 著者 | Freitag-Pohl, S, Pohl, E. | 登録日 | 2020-12-01 | 公開日 | 2022-06-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | 主引用文献 | AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase. Protein Sci., 32, 2023
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7C7O
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![BU of 7c7o by Molmil](/molmil-images/mine/7c7o) | Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | 著者 | Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2020-05-26 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors. Bioorg.Med.Chem., 28, 2020
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7CFW
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![BU of 7cfw by Molmil](/molmil-images/mine/7cfw) | Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft | 分子名称: | CALCIUM ION, Histidine kinase | 著者 | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | 登録日 | 2020-06-29 | 公開日 | 2020-11-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
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4JR6
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![BU of 4jr6 by Molmil](/molmil-images/mine/4jr6) | Crystal structure of DsbA from Mycobacterium tuberculosis (reduced) | 分子名称: | Possible conserved membrane or secreted protein, SULFATE ION | 著者 | Wang, L. | 登録日 | 2013-03-21 | 公開日 | 2013-07-17 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c. Protein Cell, 4, 2013
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5W84
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![BU of 5w84 by Molmil](/molmil-images/mine/5w84) | |
5FVZ
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![BU of 5fvz by Molmil](/molmil-images/mine/5fvz) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, CHLORIDE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2016-02-10 | 公開日 | 2016-04-20 | 最終更新日 | 2016-06-08 | 実験手法 | X-RAY DIFFRACTION (2.048 Å) | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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5W9C
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5UIH
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5FVQ
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![BU of 5fvq by Molmil](/molmil-images/mine/5fvq) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine | 分子名称: | 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2016-02-10 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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8HRH
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![BU of 8hrh by Molmil](/molmil-images/mine/8hrh) | SN-131/1B2 anti-MUC1 antibody with a glycopeptide | 分子名称: | 1-ACETYL-L-PROLINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALANINE, ... | 著者 | Wakui, H, Horidome, C, Yao, M, Ose, T, Nishimura, S.-I. | 登録日 | 2022-12-15 | 公開日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structural and molecular insight into antibody recognition of dynamic neoepitopes in membrane tethered MUC1 of pancreatic cancer cells and secreted exosomes. Rsc Chem Biol, 4, 2023
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4JSS
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![BU of 4jss by Molmil](/molmil-images/mine/4jss) | Human carbonic anhydrase II H94D bound to a bidentate inhibitor | 分子名称: | 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | 著者 | Martin, D.P, Hann, Z.S, Cohen, S.M. | 登録日 | 2013-03-22 | 公開日 | 2013-06-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
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7C7P
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![BU of 7c7p by Molmil](/molmil-images/mine/7c7p) | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | 登録日 | 2020-05-26 | 公開日 | 2020-07-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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6VZZ
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4JEK
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![BU of 4jek by Molmil](/molmil-images/mine/4jek) | Structure of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | 分子名称: | Dibenzothiophene desulfurization enzyme C | 著者 | Zhang, L, Duan, X.L, Zhou, D.M, Li, X. | 登録日 | 2013-02-27 | 公開日 | 2013-09-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystallization and preliminary structural analysis of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis Acta Crystallogr.,Sect.F, 69, 2013
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8HTV
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![BU of 8htv by Molmil](/molmil-images/mine/8htv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | 分子名称: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | 著者 | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2022-12-21 | 公開日 | 2023-08-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66, 2023
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8H7Z
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5FOG
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![BU of 5fog by Molmil](/molmil-images/mine/5fog) | Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA) | 分子名称: | 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ... | 著者 | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | 登録日 | 2015-11-20 | 公開日 | 2016-08-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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8H7L
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![BU of 8h7l by Molmil](/molmil-images/mine/8h7l) | Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | 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, BA7535 fab heavt chain, ... | 著者 | Liu, Z, Yan, A, Gao, Y. | 登録日 | 2022-10-20 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants. Nat Commun, 15, 2024
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7C2K
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![BU of 7c2k by Molmil](/molmil-images/mine/7c2k) | COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | 著者 | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | 登録日 | 2020-05-07 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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6WQQ
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![BU of 6wqq by Molmil](/molmil-images/mine/6wqq) | |
4JWD
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6WTD
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![BU of 6wtd by Molmil](/molmil-images/mine/6wtd) | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of Bedaquiline bound | 分子名称: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | 著者 | Mueller, D.M, Srivastava, A.P, Symersky, J, Luo, M, Liao, M.F. | 登録日 | 2020-05-02 | 公開日 | 2020-08-26 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Bedaquiline inhibits the yeast and human mitochondrial ATP synthases. Commun Biol, 3, 2020
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5F93
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![BU of 5f93 by Molmil](/molmil-images/mine/5f93) | Blood group antigen binding adhesin BabA of Helicobacter pylori strain A730 in complex with blood group H Lewis b hexasaccharide | 分子名称: | Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | 登録日 | 2015-12-09 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori. Cell Host Microbe, 19, 2016
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7CJF
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![BU of 7cjf by Molmil](/molmil-images/mine/7cjf) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | 著者 | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | 登録日 | 2020-07-10 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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