4JDN
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![BU of 4jdn by Molmil](/molmil-images/mine/4jdn) | Secreted Chlamydial Protein PGP3, C-terminal Domain | 分子名称: | GLYCEROL, POTASSIUM ION, Virulence plasmid protein pGP3-D | 著者 | Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J. | 登録日 | 2013-02-25 | 公開日 | 2013-06-05 | 最終更新日 | 2013-10-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the Chlamydia trachomatis immunodominant antigen Pgp3. J.Biol.Chem., 288, 2013
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5U2K
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![BU of 5u2k by Molmil](/molmil-images/mine/5u2k) | Crystal structure of Galactoside O-acetyltransferase complex with CoA (H3 space group) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ... | 著者 | Czub, M.P, Porebski, P.J, Knapik, A.A, Niedzialkowska, E, Siuda, M.K, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-11-30 | 公開日 | 2016-12-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal structure of Galactoside O-acetyltransferase complex
with CoA (H3 space group) to be published
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5UGS
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![BU of 5ugs by Molmil](/molmil-images/mine/5ugs) | Crystal structure of M. tuberculosis InhA inhibited by PT501 | 分子名称: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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3N0S
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![BU of 3n0s by Molmil](/molmil-images/mine/3n0s) | Crystal structure of BA2930 mutant (H183A) in complex with AcCoA | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ... | 著者 | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-05-14 | 公開日 | 2010-06-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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4JVT
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![BU of 4jvt by Molmil](/molmil-images/mine/4jvt) | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase fromThermobifida fusca YX in complex with CoA | 分子名称: | ACETATE ION, ACETYL COENZYME *A, Enoyl-CoA hydratase | 著者 | Mikolajczak, K, Porebski, P.J, Cooper, D.R, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-03-26 | 公開日 | 2013-06-19 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase fromThermobifida fusca YX in complex with CoA To be Published
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5UWN
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![BU of 5uwn by Molmil](/molmil-images/mine/5uwn) | Matrix metalloproteinase-13 complexed with selective inhibitor compound 10d | 分子名称: | CALCIUM ION, Collagenase 3, N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de, ... | 著者 | Taylor, A.B, Cao, X, Hart, P.J. | 登録日 | 2017-02-21 | 公開日 | 2017-07-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors. J. Med. Chem., 60, 2017
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3N5N
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![BU of 3n5n by Molmil](/molmil-images/mine/3n5n) | |
1Q52
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![BU of 1q52 by Molmil](/molmil-images/mine/1q52) | Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis | 分子名称: | menB | 著者 | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2003-08-05 | 公開日 | 2004-01-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis. J.Biol.Chem., 278, 2003
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3E68
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![BU of 3e68 by Molmil](/molmil-images/mine/3e68) | Structure of murine INOS oxygenase domain with inhibitor AR-C130232 | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE, ... | 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 (2.2 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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3P8H
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![BU of 3p8h by Molmil](/molmil-images/mine/3p8h) | Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist | 分子名称: | 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ... | 著者 | Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2010-10-13 | 公開日 | 2010-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Small-molecule ligands of methyl-lysine binding proteins. J.Med.Chem., 54, 2011
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3E7M
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![BU of 3e7m by Molmil](/molmil-images/mine/3e7m) | Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ... | 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 | 2008-08-18 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 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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4TNN
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![BU of 4tnn by Molmil](/molmil-images/mine/4tnn) | Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification. | 分子名称: | Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION | 著者 | Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W. | 登録日 | 2014-06-04 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | 主引用文献 | Protein purification and crystallization artifacts: The tale usually not told. Protein Sci., 25, 2016
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5UFY
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![BU of 5ufy by Molmil](/molmil-images/mine/5ufy) | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain | 分子名称: | Acyltransferase, SODIUM ION | 著者 | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | 登録日 | 2017-01-06 | 公開日 | 2017-10-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA). PLoS Pathog., 13, 2017
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5UG7
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![BU of 5ug7 by Molmil](/molmil-images/mine/5ug7) | Calcium bound Perforin C2 Domain - T431D | 分子名称: | CALCIUM ION, Perforin-1 | 著者 | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | 登録日 | 2017-01-07 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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4RNK
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5UFW
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![BU of 5ufw by Molmil](/molmil-images/mine/5ufw) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 | 分子名称: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | 著者 | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | 登録日 | 2017-01-06 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.583 Å) | 主引用文献 | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
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5UGT
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![BU of 5ugt by Molmil](/molmil-images/mine/5ugt) | Crystal structure of M. tuberculosis InhA inhibited by PT504 | 分子名称: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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3GCD
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![BU of 3gcd by Molmil](/molmil-images/mine/3gcd) | Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor | 分子名称: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION, ... | 著者 | Lupardus, P.J, Garcia, K.C, Shen, A, Bogyo, M. | 登録日 | 2009-02-21 | 公開日 | 2009-05-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Mechanistic and structural insights into the proteolytic activation of Vibrio cholerae MARTX toxin. Nat.Chem.Biol., 5, 2009
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4PHJ
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![BU of 4phj by Molmil](/molmil-images/mine/4phj) | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids: Human unliganded protein | 分子名称: | CALCIUM ION, Calpain small subunit 1 | 著者 | Adams, S.E, Rizkallah, P.J, Allemann, R.K, Miller, D.J, Hallett, M.B, Robinson, E. | 登録日 | 2014-05-06 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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3PA8
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![BU of 3pa8 by Molmil](/molmil-images/mine/3pa8) | |
3P4L
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![BU of 3p4l by Molmil](/molmil-images/mine/3p4l) | |
1NZ7
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![BU of 1nz7 by Molmil](/molmil-images/mine/1nz7) | POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19. | 分子名称: | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Xin, Z, Oost, T.K, Abad-Zapatero, C, Hajduk, P.J, Pei, Z, Szczepankiewicz, B.G, Hutchins, C.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Trevillyan, J.M, Jirousek, M.R, Liu, G. | 登録日 | 2003-02-16 | 公開日 | 2003-05-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
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5UPD
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![BU of 5upd by Molmil](/molmil-images/mine/5upd) | Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1) | 分子名称: | Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ... | 著者 | Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2017-02-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1) To Be Published
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4J89
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![BU of 4j89 by Molmil](/molmil-images/mine/4j89) | Different photochemical events of a genetically encoded aryl azide define and modulate GFP fluorescence | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | 著者 | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | 登録日 | 2013-02-14 | 公開日 | 2013-06-26 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence. Angew.Chem.Int.Ed.Engl., 52, 2013
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5UQD
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![BU of 5uqd by Molmil](/molmil-images/mine/5uqd) | DPY-21 in complex with Fe(II) and alpha-Ketoglutarate | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-OXOGLUTARIC ACID, DumPY: shorter than wild-type, ... | 著者 | Brejc, K, Bian, Q, Uzawa, S, Wheeler, B.S, Anderson, E.C, King, D.S, Kranzusch, P.J, Preston, C.G, Meyer, B.J. | 登録日 | 2017-02-07 | 公開日 | 2017-09-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Dynamic Control of X Chromosome Conformation and Repression by a Histone H4K20 Demethylase. Cell, 171, 2017
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