7QUK
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![BU of 7quk by Molmil](/molmil-images/mine/7quk) | ATAD2 in complex with FragLite1 | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-18 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Q9O
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![BU of 7q9o by Molmil](/molmil-images/mine/7q9o) | Complex of Transthyretin with resveratrol exhibits multiple binding modes | 分子名称: | GLYCEROL, RESVERATROL, SODIUM ION, ... | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | 登録日 | 2021-11-12 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
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5FNR
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![BU of 5fnr by Molmil](/molmil-images/mine/5fnr) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | 分子名称: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | 登録日 | 2015-11-16 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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7B8L
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![BU of 7b8l by Molmil](/molmil-images/mine/7b8l) | Notum-Fragment 174 | 分子名称: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-13 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8Y
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![BU of 7b8y by Molmil](/molmil-images/mine/7b8y) | Notum-Fragment 276 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-13 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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4QPI
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![BU of 4qpi by Molmil](/molmil-images/mine/4qpi) | Crystal structure of hepatitis A virus | 分子名称: | CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ... | 著者 | Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | 登録日 | 2014-06-23 | 公開日 | 2014-10-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Hepatitis A virus and the origins of picornaviruses. Nature, 517, 2015
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6FRN
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![BU of 6frn by Molmil](/molmil-images/mine/6frn) | Structure of F420H2 oxidase (FprA) co-crystallized with 10mM Tb-Xo4 and calcium chloride | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, F420H2 oxidase (FprA), ... | 著者 | Engilberge, S, Riobe, F, Di Pietro, S, Wagner, T, Shima, S, Girard, E, Dumont, E, Maury, O. | 登録日 | 2018-02-16 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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1G4W
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1OIU
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![BU of 1oiu by Molmil](/molmil-images/mine/1oiu) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | 分子名称: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | 著者 | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | 登録日 | 2003-06-26 | 公開日 | 2004-07-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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6NB3
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![BU of 6nb3 by Molmil](/molmil-images/mine/6nb3) | MERS-CoV complex with human neutralizing LCA60 antibody Fab fragment (state 1) | 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, LCA60 heavy chain, ... | 著者 | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2018-12-06 | 公開日 | 2019-02-06 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
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4R1S
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![BU of 4r1s by Molmil](/molmil-images/mine/4r1s) | Crystal structure of Petunia hydrida cinnamoyl-CoA reductase | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, cinnamoyl CoA reductase | 著者 | Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K. | 登録日 | 2014-08-07 | 公開日 | 2014-10-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis. Plant Cell, 26, 2014
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5KAB
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![BU of 5kab by Molmil](/molmil-images/mine/5kab) | Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open state | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | 登録日 | 2016-06-01 | 公開日 | 2017-03-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.968 Å) | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Mol. Cell, 65, 2017
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7QLH
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![BU of 7qlh by Molmil](/molmil-images/mine/7qlh) | Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213) | 分子名称: | PHOSPHATE ION, S-layer, SODIUM ION | 著者 | Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T. | 登録日 | 2021-12-20 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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6NID
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3ZI5
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![BU of 3zi5 by Molmil](/molmil-images/mine/3zi5) | Crystal STRUCTURE OF RESTRICTION ENDONUCLEASE BFII C-TERMINAL RECOGNITION DOMAIN IN COMPLEX WITH COGNATE DNA | 分子名称: | 5'-D(*AP*GP*CP*AP*CP*TP*GP*GP*GP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*CP*CP*CP*AP*GP*TP*GP*CP*TP)-3', RESTRICTION ENDONUCLEASE | 著者 | Golovenko, D, Manakova, E, Zakrys, L, Zaremba, M, Sasnauskas, G, Grazulis, S, Siksnys, V. | 登録日 | 2013-01-03 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural Insight Into the Specificity of the B3 DNA-Binding Domains Provided by the Co-Crystal Structure of the C-Terminal Fragment of Bfii Restriction Enzyme Nucleic Acids Res., 42, 2014
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6NJM
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7QNM
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![BU of 7qnm by Molmil](/molmil-images/mine/7qnm) | Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans | 分子名称: | (S)-2-haloacid dehalogenase, PHOSPHATE ION | 著者 | Grigorian, E, Roret, T, Leblanc, C, Delage, L, Czjzek, M. | 登録日 | 2021-12-21 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | X-ray structure and mechanism of ZgHAD, a l-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans. Protein Sci., 32, 2023
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6FQB
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![BU of 6fqb by Molmil](/molmil-images/mine/6fqb) | MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6 | 分子名称: | Cobyric acid synthase, GLUTAMINE, Mur ligase family protein | 著者 | Morlot, C, Contreras-Martel, C, Leisico, F, Straume, D, Peters, K, Hegnar, O.A, Simon, N, Villard, A.M, Breukink, E, Gravier-Pelletier, C, Le Corre, L, Vollmer, W, Pietrancosta, N, Havarstein, L.S, Zapun, A. | 登録日 | 2018-02-13 | 公開日 | 2018-08-22 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae. Nat Commun, 9, 2018
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6NET
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![BU of 6net by Molmil](/molmil-images/mine/6net) | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | 分子名称: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | 著者 | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | 登録日 | 2018-12-18 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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7QUX
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![BU of 7qux by Molmil](/molmil-images/mine/7qux) | Crystal structure of P7C8 bound to CK2alpha | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2022-01-19 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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6Q0W
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![BU of 6q0w by Molmil](/molmil-images/mine/6q0w) | Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39 | 分子名称: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | 著者 | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | 登録日 | 2019-08-02 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15. Nat.Chem.Biol., 16, 2020
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6PSU
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![BU of 6psu by Molmil](/molmil-images/mine/6psu) | Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi2) with TraR and rpsT P2 promoter | 分子名称: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | 著者 | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | 登録日 | 2019-07-13 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
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6GAL
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![BU of 6gal by Molmil](/molmil-images/mine/6gal) | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q collected at pH 10 | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, FE3-S4 CLUSTER, ... | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | 登録日 | 2018-04-11 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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8ED6
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8EDA
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![BU of 8eda by Molmil](/molmil-images/mine/8eda) | An alternating AT dodecamer benzimidazole (DB1476) complex | 分子名称: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | 著者 | Ogbonna, E.N, Wilson, W.D. | 登録日 | 2022-09-03 | 公開日 | 2023-02-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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