6DFU
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![BU of 6dfu by Molmil](/molmil-images/mine/6dfu) | Tryptophan--tRNA ligase from Haemophilus influenzae. | 分子名称: | TRYPTOPHAN, Tryptophan--tRNA ligase | 著者 | Osipiuk, J, Maltseva, N, Mulligan, R, Grimshaw, S, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-15 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Tryptophan--tRNA ligase from Haemophilus influenzae. to be published
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6DG3
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![BU of 6dg3 by Molmil](/molmil-images/mine/6dg3) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium | 分子名称: | CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase | 著者 | Fellner, M, Hausinger, R.P, Hu, J. | 登録日 | 2018-05-16 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.944 Å) | 主引用文献 | Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE J Life Sci, 2021
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6QDU
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![BU of 6qdu by Molmil](/molmil-images/mine/6qdu) | Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited by semi-synthetic fusicoccane FC-NCPC | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, FC-NCPC, ... | 著者 | Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C. | 登録日 | 2019-01-02 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.632 Å) | 主引用文献 | Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth. Cell Chem Biol, 27, 2020
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6QKK
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![BU of 6qkk by Molmil](/molmil-images/mine/6qkk) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1) | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ... | 著者 | Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N. | 登録日 | 2019-01-29 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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6QFM
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![BU of 6qfm by Molmil](/molmil-images/mine/6qfm) | Structure of human Mcl-1 in complex with PUMA BH3 peptide | 分子名称: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QF5
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![BU of 6qf5 by Molmil](/molmil-images/mine/6qf5) | X-Ray structure of human Aquaporin 2 crystallized on a silicon chip | 分子名称: | Aquaporin-2, CADMIUM ION | 著者 | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | 登録日 | 2019-01-09 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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6QFS
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![BU of 6qfs by Molmil](/molmil-images/mine/6qfs) | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | 分子名称: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | 著者 | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | 登録日 | 2019-01-10 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Charge Interactions in a Highly Charge-depleted Protein J.Am.Chem.Soc., 2021
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6QFU
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![BU of 6qfu by Molmil](/molmil-images/mine/6qfu) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ... | 著者 | Rebelein, J.G. | 登録日 | 2019-01-10 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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3H6N
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![BU of 3h6n by Molmil](/molmil-images/mine/3h6n) | Crystal Structure of the ubiquitin-like domain of plexin D1 | 分子名称: | ARSENIC, Plexin-D1, UNKNOWN ATOM OR ION | 著者 | Tong, Y, Nedyalkova, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Buck, M, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-23 | 公開日 | 2009-05-19 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | 主引用文献 | Crystal Structure of the ubiquitin-like domain of plexin D1 To be Published
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6QFX
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![BU of 6qfx by Molmil](/molmil-images/mine/6qfx) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ... | 著者 | Rebelein, J.G. | 登録日 | 2019-01-10 | 公開日 | 2019-04-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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6QGF
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![BU of 6qgf by Molmil](/molmil-images/mine/6qgf) | Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | 著者 | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-01-11 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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6QGH
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![BU of 6qgh by Molmil](/molmil-images/mine/6qgh) | Structure of human Bcl-2 in complex with ABT-263 | 分子名称: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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2G3O
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![BU of 2g3o by Molmil](/molmil-images/mine/2g3o) | The 2.1A crystal structure of copGFP | 分子名称: | green fluorescent protein 2 | 著者 | Wilmann, P.G. | 登録日 | 2006-02-20 | 公開日 | 2006-08-15 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The 2.1A crystal structure of copGFP, a representative member of the copepod clade within the green fluorescent protein superfamily J.Mol.Biol., 359, 2006
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6QGJ
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![BU of 6qgj by Molmil](/molmil-images/mine/6qgj) | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | 分子名称: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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4OZB
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![BU of 4ozb by Molmil](/molmil-images/mine/4ozb) | Backbone Modifications in the Protein GB1 Helix: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35 | 分子名称: | GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, ... | 著者 | Reinert, Z.E, Horne, W.S. | 登録日 | 2014-02-14 | 公開日 | 2014-07-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones. Chem Sci, 5, 2014
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6QIN
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![BU of 6qin by Molmil](/molmil-images/mine/6qin) | CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PMGL2 | 著者 | Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | 登録日 | 2019-01-21 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine. Plos One, 15, 2020
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2G8S
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![BU of 2g8s by Molmil](/molmil-images/mine/2g8s) | Crystal structure of the soluble Aldose sugar dehydrogenase (Asd) from Escherichia coli in the apo-form | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Glucose/sorbosone dehydrogenases, ... | 著者 | Southall, S.M, Doel, J.J, Richardson, D.J, Oubrie, A. | 登録日 | 2006-03-03 | 公開日 | 2006-08-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Soluble Aldose Sugar Dehydrogenase from Escherichia coli: A HIGHLY EXPOSED ACTIVE SITE CONFERRING BROAD SUBSTRATE SPECIFICITY. J.Biol.Chem., 281, 2006
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3H9W
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![BU of 3h9w by Molmil](/molmil-images/mine/3h9w) | Crystal Structure of the N-terminal domain of Diguanylate cyclase with PAS/PAC sensor (Maqu_2914) from Marinobacter aquaeolei, Northeast Structural Genomics Consortium Target MqR66C | 分子名称: | Diguanylate cyclase with PAS/PAC sensor | 著者 | Seetharaman, J, Su, M, Wang, H, Foote, E.L, Mao, L, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2009-04-30 | 公開日 | 2009-05-19 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Northeast Structural Genomics Consortium Target MqR66C To be Published
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1MM6
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![BU of 1mm6 by Molmil](/molmil-images/mine/1mm6) | crystal structure of the GluR2 ligand binding core (S1S2J) in complex with quisqualate in a non zinc crystal form at 2.15 angstroms resolution | 分子名称: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, GLYCEROL, ... | 著者 | Jin, R, Horning, M, Mayer, M.L, Gouaux, E. | 登録日 | 2002-09-03 | 公開日 | 2003-02-04 | 最終更新日 | 2017-08-23 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Mechanism of activation and selectivity in a ligand-gated ion channel: Structural and functional studies of GluR2 and quisqualate Biochemistry, 41, 2002
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6QKN
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![BU of 6qkn by Molmil](/molmil-images/mine/6qkn) | Structure of the azide-inhibited form of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae | 分子名称: | AZIDE ION, CALCIUM ION, Cytochrome-c peroxidase, ... | 著者 | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | 登録日 | 2019-01-29 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae To Be Published
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6QL1
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![BU of 6ql1 by Molmil](/molmil-images/mine/6ql1) | Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2019-01-31 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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2GDD
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![BU of 2gdd by Molmil](/molmil-images/mine/2gdd) | Human beta II tryptase with inhibitor CRA-27592 | 分子名称: | BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-{[4-(4-PHENYLBUTANOYL)PIPERAZIN-1-YL]METHYL}-1,2,4-OXADIAZOL-3-YL)METHYL]PENTYL}CARBAMATE, Tryptase beta-2 | 著者 | Somoza, J.R. | 登録日 | 2006-03-15 | 公開日 | 2006-04-11 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Human beta II tryptase with inhibitor CRA-27592 To be Published
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2GEP
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![BU of 2gep by Molmil](/molmil-images/mine/2gep) | SULFITE REDUCTASE HEMOPROTEIN, OXIDIZED, SIROHEME FEIII [4FE-4S] +2,SULFITE COMPLEX | 分子名称: | IRON/SULFUR CLUSTER, SIROHEME, SODIUM ION, ... | 著者 | Crane, B.R, Getzoff, E.D. | 登録日 | 1997-07-10 | 公開日 | 1998-01-14 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products. Biochemistry, 36, 1997
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1MQG
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![BU of 1mqg by Molmil](/molmil-images/mine/1mqg) | Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Iodo-Willardiine at 2.15 Angstroms Resolution | 分子名称: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLYCEROL, SULFATE ION, ... | 著者 | Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E. | 登録日 | 2002-09-16 | 公開日 | 2003-08-05 | 最終更新日 | 2017-05-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for partial agonist action at ionotropic glutamate receptors Nat.Neurosci., 6, 2003
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6DVM
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![BU of 6dvm by Molmil](/molmil-images/mine/6dvm) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122 | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ... | 著者 | Porter, N.J, Christianson, D.W. | 登録日 | 2018-06-24 | 公開日 | 2018-08-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity. J. Med. Chem., 61, 2018
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