3Q7J
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![BU of 3q7j by Molmil](/molmil-images/mine/3q7j) | Engineered Thermoplasma Acidophilum F3 factor mimics human aminopeptidase N (APN) as a target for anticancer drug development | 分子名称: | L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide, Tricorn protease-interacting factor F3, ZINC ION | 著者 | Su, J, Wang, Q, Feng, J, Zhang, C, Zhu, D, We, T, Xu, W, Gu, L. | 登録日 | 2011-01-05 | 公開日 | 2011-07-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Engineered Thermoplasma acidophilum factor F3 mimics human aminopeptidase N (APN) as a target for anticancer drug development Bioorg.Med.Chem., 19, 2011
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5HPH
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![BU of 5hph by Molmil](/molmil-images/mine/5hph) | Structure of TRAP1 fragment | 分子名称: | GLYCEROL, Heat shock protein 75 kDa, mitochondrial, ... | 著者 | Sung, N, Chang, C, Lee, S, Tsai, F.T.F. | 登録日 | 2016-01-20 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.429 Å) | 主引用文献 | 2.4 angstrom resolution crystal structure of human TRAP1NM, the Hsp90 paralog in the mitochondrial matrix. Acta Crystallogr D Struct Biol, 72, 2016
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3ZPO
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![BU of 3zpo by Molmil](/molmil-images/mine/3zpo) | Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1 | 分子名称: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ... | 著者 | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2013-02-28 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase. J.Biol.Chem., 289, 2014
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3R5T
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![BU of 3r5t by Molmil](/molmil-images/mine/3r5t) | Crystal structure of holo-ViuP | 分子名称: | (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, 1,2-ETHANEDIOL, ACETIC ACID, ... | 著者 | Li, N, Zhang, C, Li, B, Liu, X, Huang, Y, Xu, S, Gu, L. | 登録日 | 2011-03-19 | 公開日 | 2012-02-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Unique iron coordination in iron-chelating molecule vibriobactin helps Vibrio cholerae evade mammalian siderocalin-mediated immune response. J.Biol.Chem., 287, 2012
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3DHP
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![BU of 3dhp by Molmil](/molmil-images/mine/3dhp) | Probing the role of aromatic residues at the secondary saccharide binding sites of human salivary alpha-amylase in substrate hydrolysis and bacterial binding | 分子名称: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase 1, ... | 著者 | Ragunath, C, Manuel, S.G.A, Sait, H.M, Kasinathan, C. | 登録日 | 2008-06-18 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Probing the role of aromatic residues To be Published
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2RAO
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![BU of 2rao by Molmil](/molmil-images/mine/2rao) | X ray crystal structure of rabbit hemoglobin (oxy form) at 2.0 angstrom resolution | 分子名称: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1/2, OXYGEN MOLECULE, ... | 著者 | Sundaresan, S, Packianathan, C, Neelagandan, K, Ponnuswamy, M.N. | 登録日 | 2007-09-17 | 公開日 | 2008-09-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray crystal structure determination of hemoglobin from rabbit at 2.0 angstrom resloution To be Published
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2J2U
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![BU of 2j2u by Molmil](/molmil-images/mine/2j2u) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | 分子名称: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE, COAGULATION FACTOR X HEAVY CHAIN, COAGULATION FACTOR X LIGHT CHAIN | 著者 | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | 登録日 | 2006-08-17 | 公開日 | 2006-09-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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6KXH
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![BU of 6kxh by Molmil](/molmil-images/mine/6kxh) | Alp1U_Y247F mutant in complex with Fluostatin C | 分子名称: | D-MALATE, Fluostatin C, Putative hydrolase, ... | 著者 | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | 登録日 | 2019-09-11 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.78039551 Å) | 主引用文献 | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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6KXR
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![BU of 6kxr by Molmil](/molmil-images/mine/6kxr) | Crystal structure of wild type Alp1U from the biosynthesis of kinamycins | 分子名称: | D-MALATE, Putative hydrolase | 著者 | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | 登録日 | 2019-09-12 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.45073676 Å) | 主引用文献 | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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2FHG
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![BU of 2fhg by Molmil](/molmil-images/mine/2fhg) | Crystal Structure of Mycobacterial Tuberculosis Proteasome | 分子名称: | 20S proteasome, alpha and beta subunits, proteasome, ... | 著者 | Hu, G, Lin, G, Wang, M, Dick, L, Xu, R.M, Nathan, C, Li, H. | 登録日 | 2005-12-23 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | 主引用文献 | Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate. Mol.Microbiol., 59, 2006
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2JH5
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![BU of 2jh5 by Molmil](/molmil-images/mine/2jh5) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-20 | 公開日 | 2007-05-08 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2JH0
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![BU of 2jh0 by Molmil](/molmil-images/mine/2jh0) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-19 | 公開日 | 2007-05-08 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2A72
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![BU of 2a72 by Molmil](/molmil-images/mine/2a72) | Structure of the regulator of G-protein signaling domain of RGS7 | 分子名称: | CHLORIDE ION, Regulator of G-protein signalling 7 | 著者 | Schoch, G.A, Johansson, C, Phillips, C, Debreczeni, J, Smee, C, Elkins, J.M, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Gileadi, O, Doyle, D.A, Structural Genomics Consortium (SGC) | 登録日 | 2005-07-04 | 公開日 | 2005-07-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3E6U
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![BU of 3e6u by Molmil](/molmil-images/mine/3e6u) | Crystal structure of Human LanCL1 | 分子名称: | LanC-like protein 1, ZINC ION | 著者 | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | 登録日 | 2008-08-16 | 公開日 | 2009-06-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione Genes Dev., 23, 2009
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4ABN
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![BU of 4abn by Molmil](/molmil-images/mine/4abn) | Crystal structure of full length mouse Strap (TTC5) | 分子名称: | 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5 | 著者 | Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S. | 登録日 | 2011-12-09 | 公開日 | 2012-01-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure. Proc.Natl.Acad.Sci.USA, 109, 2012
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2JZY
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2AF0
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![BU of 2af0 by Molmil](/molmil-images/mine/2af0) | Structure of the Regulator of G-Protein Signaling Domain of RGS2 | 分子名称: | Regulator of G-protein signaling 2 | 著者 | Papagrigoriou, E, Johannson, C, Phillips, C, Smee, C, Elkins, J.M, Weigelt, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | 登録日 | 2005-07-25 | 公開日 | 2005-08-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2JH6
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![BU of 2jh6 by Molmil](/molmil-images/mine/2jh6) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-20 | 公開日 | 2007-05-08 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2JJD
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![BU of 2jjd by Molmil](/molmil-images/mine/2jjd) | Protein Tyrosine Phosphatase, Receptor Type, E isoform | 分子名称: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | 著者 | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2008-03-31 | 公開日 | 2008-04-08 | 最終更新日 | 2012-06-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.), 136, 2009
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2AYW
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![BU of 2ayw by Molmil](/molmil-images/mine/2ayw) | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ... | 著者 | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | 登録日 | 2005-09-09 | 公開日 | 2006-01-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution. Acta Crystallogr.,Sect.D, 63, 2007
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2Y6C
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![BU of 2y6c by Molmil](/molmil-images/mine/2y6c) | The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger | 分子名称: | CALCIUM ION, MATRILYSIN, N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN, ... | 著者 | Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L. | 登録日 | 2011-01-20 | 公開日 | 2011-05-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger. Chemmedchem, 6, 2011
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1Q6T
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![BU of 1q6t by Molmil](/molmil-images/mine/1q6t) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 11 | 分子名称: | 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | 著者 | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | 登録日 | 2003-08-13 | 公開日 | 2003-09-30 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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1Q6N
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![BU of 1q6n by Molmil](/molmil-images/mine/1q6n) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 4 | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | 著者 | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | 登録日 | 2003-08-13 | 公開日 | 2003-09-30 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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4FS8
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![BU of 4fs8 by Molmil](/molmil-images/mine/4fs8) | The structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation | 分子名称: | Arsenic methyltransferase, CALCIUM ION | 著者 | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | 登録日 | 2012-06-27 | 公開日 | 2012-07-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation. Biochemistry, 51, 2012
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7E48
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![BU of 7e48 by Molmil](/molmil-images/mine/7e48) | Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor | 分子名称: | 3-NITROPROPANOIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | 著者 | Songsiriritthigul, C, Hanwarinroj, C, Suttipanta, N, Kamsri, P, Kittakoop, P, Pungpo, P. | 登録日 | 2021-02-10 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis InhA by 3-nitropropanoic acid. Proteins, 90, 2022
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