7MEQ
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![BU of 7meq by Molmil](/molmil-images/mine/7meq) | Crystal structure of human TMPRSS2 in complex with Nafamostat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ... | 著者 | Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2021-04-07 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation. Nat.Chem.Biol., 18, 2022
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5JR5
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![BU of 5jr5 by Molmil](/molmil-images/mine/5jr5) | |
5W4N
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5VY1
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![BU of 5vy1 by Molmil](/molmil-images/mine/5vy1) | Crystal structure of the extended Tudor domain from BmPAPI | 分子名称: | Tudor and KH domain-containing protein homolog | 著者 | Hubbard, P.A, Pan, X, McNally, R, Ohtaki, A, Honda, S, Kirino, Y, Murali, R. | 登録日 | 2017-05-24 | 公開日 | 2017-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis To Be Published
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5JQ0
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![BU of 5jq0 by Molmil](/molmil-images/mine/5jq0) | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 | 分子名称: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | 登録日 | 2016-05-04 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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5VQH
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![BU of 5vqh by Molmil](/molmil-images/mine/5vqh) | Crystal structure of the extended Tudor domain from BmPAPI in complex with sDMA | 分子名称: | N3, N4-DIMETHYLARGININE, Tudor and KH domain-containing protein homolog | 著者 | Hubbard, P.A, Pan, X, Ohtaki, A, McNally, R, Honda, S, Kirino, Y, Murali, R. | 登録日 | 2017-05-08 | 公開日 | 2017-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis To Be Published
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5JUH
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5VVM
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5WEY
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![BU of 5wey by Molmil](/molmil-images/mine/5wey) | Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | 著者 | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | 登録日 | 2017-07-11 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry, 56, 2017
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5WP0
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![BU of 5wp0 by Molmil](/molmil-images/mine/5wp0) | Crystal structure of NAD synthetase NadE from Vibrio fischeri | 分子名称: | NH(3)-dependent NAD(+) synthetase | 著者 | Stogios, P.J, Evdokimova, E, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-08-03 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of NAD synthetase NadE from Vibrio fischeri To Be Published
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7MWA
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![BU of 7mwa by Molmil](/molmil-images/mine/7mwa) | Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase UbiH from Acinetobacter baumannii, apoenzyme | 分子名称: | 1,2-ETHANEDIOL, 2-polyprenyl-6-methoxyphenol 4-hydroxylase, CHLORIDE ION, ... | 著者 | Stogios, P.J, Evdokimova, E, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-05-16 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | UbiH from Acinetobacter baumannii To Be Published
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5XXG
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5XYH
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![BU of 5xyh by Molmil](/molmil-images/mine/5xyh) | Crystal Structure of catalytic domain of 1,4-beta-Cellobiosidase (CbsA) from Xanthomonas oryzae pv. oryzae | 分子名称: | CbsA | 著者 | Kumar, S, Haque, A.S, Nathawat, R, Sankaranaryanan, R. | 登録日 | 2017-07-07 | 公開日 | 2018-05-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.864 Å) | 主引用文献 | A mutation in an exoglucanase of Xanthomonas oryzae pv. oryzae, which confers an endo mode of activity, affects bacterial virulence, but not the induction of immune responses, in rice Mol. Plant Pathol., 19, 2018
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5XYO
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![BU of 5xyo by Molmil](/molmil-images/mine/5xyo) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122G mutant | 分子名称: | CHLORIDE ION, Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, ... | 著者 | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | 登録日 | 2017-07-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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5Y1T
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![BU of 5y1t by Molmil](/molmil-images/mine/5y1t) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,3-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | 分子名称: | (2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | 著者 | Marapaka, A.K, Zhang, Y, Addlagatta, A. | 登録日 | 2017-07-21 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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1Y7A
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![BU of 1y7a by Molmil](/molmil-images/mine/1y7a) | Structure of D153H/K328W E. coli alkaline phosphatase in presence of cobalt at 1.77 A resolution | 分子名称: | Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ... | 著者 | Wang, J, Stieglitz, K, Kantrowitz, E.R. | 登録日 | 2004-12-08 | 公開日 | 2005-06-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,). Biochemistry, 44, 2005
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5XYT
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![BU of 5xyt by Molmil](/molmil-images/mine/5xyt) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., H130Y mutant | 分子名称: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, SULFATE ION | 著者 | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | 登録日 | 2017-07-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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5Y6H
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1ZUM
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![BU of 1zum by Molmil](/molmil-images/mine/1zum) | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form | 分子名称: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ... | 著者 | Larson, H.N, Weiner, H, Hurley, T.D. | 登録日 | 2005-05-31 | 公開日 | 2005-06-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Disruption of the coenzyme binding site and dimer interface revealed in the crystal structure of mitochondrial aldehyde dehydrogenase "asian" variant J.Biol.Chem., 280, 2005
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5ZI7
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7DEL
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![BU of 7del by Molmil](/molmil-images/mine/7del) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | 分子名称: | 3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Mima, M, Ushiyama, F, Tanaka-Yamamoto, N. | 登録日 | 2020-11-04 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg.Med.Chem., 30, 2020
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7DEM
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![BU of 7dem by Molmil](/molmil-images/mine/7dem) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | 分子名称: | 5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Mima, M, Ushiyama, F, Matsuda, Y. | 登録日 | 2020-11-04 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg.Med.Chem., 30, 2020
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5YXF
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1ZNS
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![BU of 1zns by Molmil](/molmil-images/mine/1zns) | Crystal structure of N-ColE7/12-bp DNA/Zn complex | 分子名称: | 5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3', Colicin E7, ZINC ION | 著者 | Doudeva, L.G, Huang, H, Hsia, K.C, Shi, Z, Li, C.L, Shen, Y, Yuan, H.S. | 登録日 | 2005-05-12 | 公開日 | 2006-03-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structural analysis and metal-dependent stability and activity studies of the ColE7 endonuclease domain in complex with DNA/Zn2+ or inhibitor/Ni2+ Protein Sci., 15, 2006
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7D83
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![BU of 7d83 by Molmil](/molmil-images/mine/7d83) | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid | 分子名称: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION | 著者 | Sugiyama, S, Sekiguchi, Y. | 登録日 | 2020-10-07 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond. Bioorg.Med.Chem.Lett., 33, 2020
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