5KE3
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![BU of 5ke3 by Molmil](/molmil-images/mine/5ke3) | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | 分子名称: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-09 | 公開日 | 2016-08-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a to be published
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5K4D
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![BU of 5k4d by Molmil](/molmil-images/mine/5k4d) | Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 3 | 分子名称: | Eukaryotic translation initiation factor 3 subunit D | 著者 | Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D. | 登録日 | 2016-05-20 | 公開日 | 2016-07-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation. Nature, 536, 2016
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3E67
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![BU of 3e67 by Molmil](/molmil-images/mine/3e67) | Murine inos dimer with inhibitor 4-MAP bound | 分子名称: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-14 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4O8P
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![BU of 4o8p by Molmil](/molmil-images/mine/4o8p) | Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, bound to xylotetraose | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ... | 著者 | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | 登録日 | 2013-12-28 | 公開日 | 2014-07-02 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (1.557 Å) | 主引用文献 | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus. Appl.Environ.Microbiol., 80, 2014
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3E6T
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![BU of 3e6t by Molmil](/molmil-images/mine/3e6t) | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-15 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3HOG
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5K77
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![BU of 5k77 by Molmil](/molmil-images/mine/5k77) | Dbr1 in complex with 7-mer branched RNA | 分子名称: | FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ... | 著者 | Clark, N.E, Taylor, A.B, Hart, P.J. | 登録日 | 2016-05-25 | 公開日 | 2016-12-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Metal dependence and branched RNA cocrystal structures of the RNA lariat debranching enzyme Dbr1. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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4OXY
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![BU of 4oxy by Molmil](/molmil-images/mine/4oxy) | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | 分子名称: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | 登録日 | 2014-02-09 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3501 Å) | 主引用文献 | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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6DVR
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![BU of 6dvr by Molmil](/molmil-images/mine/6dvr) | Crystal structure of human CARM1 with (R)-SKI-72 | 分子名称: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ... | 著者 | Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-25 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Crystal structure of human CARM1 with (R)-SKI-72 to be published
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3LB6
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![BU of 3lb6 by Molmil](/molmil-images/mine/3lb6) | The structure of IL-13 in complex with IL-13Ralpha2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Interleukin-13, ... | 著者 | Lupardus, P.J, Garcia, K.C, Birnbaum, M.E. | 登録日 | 2010-01-07 | 公開日 | 2010-03-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Molecular basis for shared cytokine recognition revealed in the structure of an unusually high affinity complex between IL-13 and IL-13Ralpha2. Structure, 18, 2010
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4OEN
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![BU of 4oen by Molmil](/molmil-images/mine/4oen) | Crystal structure of the second substrate binding domain of a putative amino acid ABC transporter from Streptococcus pneumoniae Canada MDR_19A | 分子名称: | ACETATE ION, CHLORIDE ION, SULFATE ION, ... | 著者 | Stogios, P.J, Wawrzak, Z, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-01-13 | 公開日 | 2014-01-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of the second substrate binding domain of a putative amino acid ABC transporter from Streptococcus pneumoniae Canada MDR_19A To be Published
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1N84
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![BU of 1n84 by Molmil](/molmil-images/mine/1n84) | HUMAN SERUM TRANSFERRIN, N-LOBE | 分子名称: | CARBONATE ION, FE (III) ION, Serotransferrin | 著者 | Adams, T.E, Mason, A.B, He, Q.Y, Halbrooks, P.J, Briggs, S.K, Smith, V.C, Macgillivray, R.T, Everse, S.J. | 登録日 | 2002-11-19 | 公開日 | 2003-03-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | THE POSITION OF ARGININE 124 CONTROLS THE RATE OF IRON RELEASE FROM THE N-LOBE OF HUMAN SERUM TRANSFERRIN. A STRUCTURAL STUDY J.Biol.Chem., 278, 2003
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6DW2
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6DHR
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6Z9V
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![BU of 6z9v by Molmil](/molmil-images/mine/6z9v) | Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | 著者 | Rizkallah, P.J, Man, S, Redman, J.E. | 登録日 | 2020-06-04 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
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6Z9X
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![BU of 6z9x by Molmil](/molmil-images/mine/6z9x) | Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT | 分子名称: | Beta-2-microglobulin, LEU-LEU-SER-TUR-PHE-GLY-THR-PRO-THR, MHC class I antigen, ... | 著者 | Rizkallah, P.J, Man, S, Redman, J.E. | 登録日 | 2020-06-04 | 公開日 | 2021-06-30 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
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6ZC5
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![BU of 6zc5 by Molmil](/molmil-images/mine/6zc5) | Human Adenovirus serotype D10 FiberKnob protein | 分子名称: | Fiber | 著者 | Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L. | 登録日 | 2020-06-09 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Development of a low-seroprevalence, alpha v beta 6 integrin-selective virotherapy based on human adenovirus type 10. Mol Ther Oncolytics, 25, 2022
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6DWI
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6Z9W
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![BU of 6z9w by Molmil](/molmil-images/mine/6z9w) | Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV | 分子名称: | Beta-2-microglobulin, LEU-LEU-GLY-TRP-VAL-PHE-ALA-GLN-VAL, MHC class I antigen | 著者 | Rizkallah, P.J, Man, S, Redman, J.E. | 登録日 | 2020-06-04 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
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7MWY
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7MWZ
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3EBF
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![BU of 3ebf by Molmil](/molmil-images/mine/3ebf) | Structure of inhibited murine iNOS oxygenase domain | 分子名称: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-27 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1NL9
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![BU of 1nl9 by Molmil](/molmil-images/mine/1nl9) | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy | 分子名称: | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | 登録日 | 2003-01-06 | 公開日 | 2003-04-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of a Potent, Selective Protein Tyrosine
Phosphatase 1B Inhibitor Using a
Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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4GKS
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![BU of 4gks by Molmil](/molmil-images/mine/4gks) | A2-MHC Complex carrying FLTGIGIITV | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, FLT Cognate peptide, ... | 著者 | Sewell, A.K, Rizkallah, P.J, Cole, D.K, Wooldridge, L, Price, D.A. | 登録日 | 2012-08-13 | 公開日 | 2012-09-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.346 Å) | 主引用文献 | T-cell Receptor-optimized Peptide Skewing of the T-cell Repertoire Can Enhance Antigen Targeting. J.Biol.Chem., 287, 2012
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5K71
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![BU of 5k71 by Molmil](/molmil-images/mine/5k71) | apo Dbr1 | 分子名称: | RNA lariat debranching enzyme, putative, SULFATE ION | 著者 | Clark, N.E, Taylor, A.B, Hart, P.J. | 登録日 | 2016-05-25 | 公開日 | 2016-12-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures Proc.Natl.Acad.Sci.USA, 2016
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