6YBI
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5FKA
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![BU of 5fka by Molmil](/molmil-images/mine/5fka) | Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor | 分子名称: | STAPHYLOCOCCAL ENTEROTOXIN E, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN, ... | 著者 | Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K. | 登録日 | 2015-10-15 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins. Sci.Rep., 6, 2016
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7PVF
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![BU of 7pvf by Molmil](/molmil-images/mine/7pvf) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione | 分子名称: | 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-02 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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8RGC
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![BU of 8rgc by Molmil](/molmil-images/mine/8rgc) | High pH (8.0) nitrite-bound MSOX movie series dataset 10 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [6.8 MGy] | 分子名称: | CARBON DIOXIDE, COPPER (II) ION, Copper-containing nitrite reductase, ... | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | 登録日 | 2023-12-13 | 公開日 | 2024-07-24 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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6YBO
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6PD7
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![BU of 6pd7 by Molmil](/molmil-images/mine/6pd7) | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | 分子名称: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-18 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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7PVR
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6F72
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8RGD
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![BU of 8rgd by Molmil](/molmil-images/mine/8rgd) | High pH (8.0) nitrite-bound MSOX movie series dataset 15 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [10.2 MGy] | 分子名称: | CARBON DIOXIDE, COPPER (II) ION, Copper-containing nitrite reductase, ... | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | 登録日 | 2023-12-13 | 公開日 | 2024-07-24 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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6YBX
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7PQ1
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![BU of 7pq1 by Molmil](/molmil-images/mine/7pq1) | Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1 | 分子名称: | Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | 登録日 | 2021-09-15 | 公開日 | 2022-09-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine To Be Published
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8RC8
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![BU of 8rc8 by Molmil](/molmil-images/mine/8rc8) | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Exposed to air for 0 min | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Vilela-Alves, G, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | 登録日 | 2023-12-06 | 公開日 | 2024-07-24 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | 主引用文献 | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement. Chem Sci, 15, 2024
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6PDB
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![BU of 6pdb by Molmil](/molmil-images/mine/6pdb) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6JB4
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![BU of 6jb4 by Molmil](/molmil-images/mine/6jb4) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with maltose | 分子名称: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | 著者 | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | 登録日 | 2019-01-25 | 公開日 | 2019-10-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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5FNK
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![BU of 5fnk by Molmil](/molmil-images/mine/5fnk) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | 分子名称: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ... | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | 登録日 | 2015-11-15 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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7PVQ
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6PDD
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![BU of 6pdd by Molmil](/molmil-images/mine/6pdd) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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8RCC
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![BU of 8rcc by Molmil](/molmil-images/mine/8rcc) | W-formate dehydrogenase from Desulfovibrio vulgaris - aerobic soaked with 48 bar CO2 for 1 min | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CARBON DIOXIDE, ... | 著者 | Vilela-Alves, G, Carpentier, P, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | 登録日 | 2023-12-06 | 公開日 | 2024-07-24 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement. Chem Sci, 15, 2024
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6B7F
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![BU of 6b7f by Molmil](/molmil-images/mine/6b7f) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one | 分子名称: | (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | 著者 | Proudfoot, A.W, Bussiere, D, Lingel, A. | 登録日 | 2017-10-03 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.562 Å) | 主引用文献 | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6YBZ
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![BU of 6ybz by Molmil](/molmil-images/mine/6ybz) | Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | 著者 | Kovalev, K, Gushchin, I, Gordeliy, V. | 登録日 | 2020-03-18 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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6F0S
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5U5X
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![BU of 5u5x by Molmil](/molmil-images/mine/5u5x) | CcP gateless cavity | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, THIOPHENE-3-CARBOXIMIDAMIDE | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6Y5P
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![BU of 6y5p by Molmil](/molmil-images/mine/6y5p) | RING-DTC domain of Deltex1 bound to NAD | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase DTX1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Gabrielsen, M, Buetow, L, Huang, D.T. | 登録日 | 2020-02-25 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases. Sci Adv, 6, 2020
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5FQ4
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![BU of 5fq4 by Molmil](/molmil-images/mine/5fq4) | Crystal structure of the lipoprotein BT2263 from Bacteroides thetaiotaomicron | 分子名称: | CALCIUM ION, PUTATIVE LIPOPROTEIN | 著者 | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | 登録日 | 2015-12-04 | 公開日 | 2016-12-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
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5FQA
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![BU of 5fqa by Molmil](/molmil-images/mine/5fqa) | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II | 分子名称: | 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ... | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2015-12-08 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Use of ferrous iron by metallo-beta-lactamases. J. Inorg. Biochem., 163, 2016
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