6PHN
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6YB6
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![BU of 6yb6 by Molmil](/molmil-images/mine/6yb6) | Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c) | 分子名称: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative, ... | 著者 | Sandner, A, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-03-16 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c) To be published
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6YHG
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![BU of 6yhg by Molmil](/molmil-images/mine/6yhg) | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) | 分子名称: | 1-(3-methoxyphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANINE, ... | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | 登録日 | 2020-03-29 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) To be published
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6YHJ
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![BU of 6yhj by Molmil](/molmil-images/mine/6yhj) | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | 登録日 | 2020-03-30 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) To be published
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6YN3
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![BU of 6yn3 by Molmil](/molmil-images/mine/6yn3) | Thrombin in complex with 4-hydroxybenzamide (j89) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-10 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Thrombin in complex with 4-hydroxybenzamide (j89) To be published
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6YMP
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![BU of 6ymp by Molmil](/molmil-images/mine/6ymp) | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-09 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) To be published
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6YQV
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![BU of 6yqv by Molmil](/molmil-images/mine/6yqv) | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-18 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) To be published
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6CGF
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![BU of 6cgf by Molmil](/molmil-images/mine/6cgf) | Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-02-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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8ACK
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![BU of 8ack by Molmil](/molmil-images/mine/8ack) | |
8ACR
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4YS6
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![BU of 4ys6 by Molmil](/molmil-images/mine/4ys6) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE | 分子名称: | CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ... | 著者 | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-03-16 | 公開日 | 2015-04-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE To be published
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8AC7
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6YYI
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![BU of 6yyi by Molmil](/molmil-images/mine/6yyi) | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose | 分子名称: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | 著者 | Lafite, P, Daniellou, R, Bretagne, D. | 登録日 | 2020-05-05 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis. Biochimie, 181, 2020
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8AHO
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![BU of 8aho by Molmil](/molmil-images/mine/8aho) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31 | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-07-22 | 公開日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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6P8M
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8ATE
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![BU of 8ate by Molmil](/molmil-images/mine/8ate) | Galacturonic acid oxidase from Citrus sinensis | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Boverio, A, Savino, S, Fraaije, M.W, Loncar, N. | 登録日 | 2022-08-23 | 公開日 | 2023-09-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Biochemical and Structural Characterization of a Uronic Acid Oxidase from Citrus sinensis Chemcatchem, 2023
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8AMY
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![BU of 8amy by Molmil](/molmil-images/mine/8amy) | High-resolution crystal structure of the Mu8.1 conotoxin from Conus Mucronatus | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICARBONATE ION, ... | 著者 | Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P. | 登録日 | 2022-08-04 | 公開日 | 2023-08-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | High-resolution crystal structure of the Mu8.1 conotoxin from Conus mucronatus. Acta Crystallogr.,Sect.F, 79, 2023
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5O7C
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![BU of 5o7c by Molmil](/molmil-images/mine/5o7c) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | 登録日 | 2017-06-08 | 公開日 | 2018-06-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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6C5B
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![BU of 6c5b by Molmil](/molmil-images/mine/6c5b) | Crystal Structure Analysis of LaPhzM | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, FORMIC ACID, Methyltransferase, ... | 著者 | Beltran, D.G, Schacht, A, Zhang, L. | 登録日 | 2018-01-15 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Functional and Structural Analysis of Phenazine O-Methyltransferase LaPhzM from Lysobacter antibioticus OH13 and One-Pot Enzymatic Synthesis of the Antibiotic Myxin. ACS Chem. Biol., 13, 2018
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8AGQ
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![BU of 8agq by Molmil](/molmil-images/mine/8agq) | Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione | 分子名称: | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol, GLUTATHIONE, Glutathione transferase, ... | 著者 | Eichenberger, M, Hueppi, S, Schwander, T, Mittl, P, Buller, M.R. | 登録日 | 2022-07-20 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.093 Å) | 主引用文献 | The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. Nat Catal, 6, 2023
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6CXE
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![BU of 6cxe by Molmil](/molmil-images/mine/6cxe) | Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Wang, J, Zajonc, D. | 登録日 | 2018-04-02 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6ZJU
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![BU of 6zju by Molmil](/molmil-images/mine/6zju) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with saccharose | 分子名称: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | 著者 | Rutkiewicz, M, Bujacz, A, Bujacz, G. | 登録日 | 2020-06-29 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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5O43
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![BU of 5o43 by Molmil](/molmil-images/mine/5o43) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | 登録日 | 2017-05-25 | 公開日 | 2018-06-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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8AGP
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![BU of 8agp by Molmil](/molmil-images/mine/8agp) | Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | 分子名称: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | 著者 | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | 登録日 | 2022-07-20 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AJ0
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![BU of 8aj0 by Molmil](/molmil-images/mine/8aj0) | Mpro of SARS COV-2 in complex with the RK-90 inhibitor | 分子名称: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2022-07-27 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.519 Å) | 主引用文献 | Main Protease SARS-COV-2 in complex with the inhibitor RK-90 To Be Published
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