6QMC
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![BU of 6qmc by Molmil](/molmil-images/mine/6qmc) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | 分子名称: | (3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid, Kelch-like ECH-associated protein 1 | 著者 | Davies, T.G. | 登録日 | 2019-02-07 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6RS7
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![BU of 6rs7 by Molmil](/molmil-images/mine/6rs7) | X-ray crystal structure of LsAA9B (deglycosylated form) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ... | 著者 | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | 登録日 | 2019-05-21 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases. J.Biol.Chem., 294, 2019
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5WM2
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2BT8
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![BU of 2bt8 by Molmil](/molmil-images/mine/2bt8) | Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, space group P6322. | 分子名称: | SIGMA C | 著者 | Guardado Calvo, P, Fox, G.C, Hermo Parrado, X.L, Llamas-Saiz, A.L, van Raaij, M.J. | 登録日 | 2005-05-26 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac J.Mol.Biol., 354, 2005
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2BT7
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![BU of 2bt7 by Molmil](/molmil-images/mine/2bt7) | Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, Cd crystal form | 分子名称: | CADMIUM ION, SIGMA C, SULFATE ION | 著者 | Guardado Calvo, P, Fox, G.C, Hermo Parrado, X.L, Llamas-Saiz, A.L, van Raaij, M.J. | 登録日 | 2005-05-26 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac J.Mol.Biol., 354, 2005
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1WBK
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6IFO
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![BU of 6ifo by Molmil](/molmil-images/mine/6ifo) | |
5UKR
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![BU of 5ukr by Molmil](/molmil-images/mine/5ukr) | |
5UQ6
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![BU of 5uq6 by Molmil](/molmil-images/mine/5uq6) | PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE IN TWO COORDINATION MODES ALONG WITH A BRIDGING HYDROXIDE ION | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HYDROXIDE ION, ... | 著者 | Selleck, C, Guddat, L, Schenk, G, Clayton, D. | 登録日 | 2017-02-06 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.182 Å) | 主引用文献 | Visualization of the Reaction Trajectory and Transition State in a Hydrolytic Reaction Catalyzed by a Metalloenzyme. Chemistry, 23, 2017
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6Q4T
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![BU of 6q4t by Molmil](/molmil-images/mine/6q4t) | KOD DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | 著者 | Kropp, H.M, Diederichs, K, Marx, A. | 登録日 | 2018-12-06 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | 主引用文献 | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide. Angew.Chem.Int.Ed.Engl., 58, 2019
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5UTY
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![BU of 5uty by Molmil](/molmil-images/mine/5uty) | Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom | 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, 35O22 Fab heavy chain, ... | 著者 | Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D. | 登録日 | 2017-02-15 | 公開日 | 2017-03-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.412 Å) | 主引用文献 | Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity. J. Virol., 91, 2017
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6BA4
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![BU of 6ba4 by Molmil](/molmil-images/mine/6ba4) | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | 分子名称: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | 登録日 | 2017-10-12 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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5VVI
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![BU of 5vvi by Molmil](/molmil-images/mine/5vvi) | Crystal Structure of the Ligand Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens in the Complex with Octopine | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | 著者 | Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2017-05-19 | 公開日 | 2017-06-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch. Mol. Microbiol., 2018
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5YZX
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![BU of 5yzx by Molmil](/molmil-images/mine/5yzx) | Crystal structure of E.coli LysU T146D mutant | 分子名称: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CALCIUM ION, Lysine--tRNA ligase, ... | 著者 | Fang, P, Guo, M. | 登録日 | 2017-12-16 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | A proposed role for MSC to reserve the canonical function in high eukaryotes prior to stimuli To Be Published
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1Y2S
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![BU of 1y2s by Molmil](/molmil-images/mine/1y2s) | Ovine Prion Protein Variant R168 | 分子名称: | Major prion protein | 著者 | Christen, B, Lysek, D.A, Herrmann, T, Wuthrich, K. | 登録日 | 2004-11-23 | 公開日 | 2004-12-28 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | Prion protein NMR structures of cats, dogs, pigs, and sheep Proc.Natl.Acad.Sci.USA, 102, 2005
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5WM4
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![BU of 5wm4 by Molmil](/molmil-images/mine/5wm4) | Crystal Structure of CahJ in Complex with 6-Methylsalicyl Adenylate | 分子名称: | 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ... | 著者 | Sikkema, A.P, Smith, J.L. | 登録日 | 2017-07-28 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | 主引用文献 | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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1DPT
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![BU of 1dpt by Molmil](/molmil-images/mine/1dpt) | D-DOPACHROME TAUTOMERASE | 分子名称: | D-DOPACHROME TAUTOMERASE | 著者 | Sugimoto, H, Taniguchi, M, Nakagawa, A, Tanaka, I. | 登録日 | 1998-05-11 | 公開日 | 1999-03-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Crystal structure of human D-dopachrome tautomerase, a homologue of macrophage migration inhibitory factor, at 1.54 A resolution. Biochemistry, 38, 1999
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6RS9
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![BU of 6rs9 by Molmil](/molmil-images/mine/6rs9) | X-ray crystal structure of LsAA9B (xylotetraose soak) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, BICINE, ... | 著者 | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | 登録日 | 2019-05-21 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases. J.Biol.Chem., 294, 2019
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1M27
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![BU of 1m27 by Molmil](/molmil-images/mine/1m27) | Crystal structure of SAP/FynSH3/SLAM ternary complex | 分子名称: | CITRATE ANION, Proto-oncogene tyrosine-protein kinase FYN, SH2 domain protein 1A, ... | 著者 | Chan, B, Griesbach, J, Song, H.K, Poy, F, Terhorst, C, Eck, M.J. | 登録日 | 2002-06-21 | 公開日 | 2003-05-06 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | SAP couples Fyn to SLAM immune receptors. NAT.CELL BIOL., 5, 2003
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6BA2
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![BU of 6ba2 by Molmil](/molmil-images/mine/6ba2) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | 分子名称: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | 登録日 | 2017-10-11 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.85003817 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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5VA4
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5WM7
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![BU of 5wm7 by Molmil](/molmil-images/mine/5wm7) | Crystal Structure of CahJ in Complex with AMP | 分子名称: | ACETATE ION, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | 著者 | Sikkema, A.P, Smith, J.L. | 登録日 | 2017-07-28 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.777 Å) | 主引用文献 | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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1JY7
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5V7A
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![BU of 5v7a by Molmil](/molmil-images/mine/5v7a) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid | 分子名称: | CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | 登録日 | 2017-03-20 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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6QMJ
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![BU of 6qmj by Molmil](/molmil-images/mine/6qmj) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | 分子名称: | (3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | 著者 | Davies, T.G. | 登録日 | 2019-02-07 | 公開日 | 2019-04-24 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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