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3CG5	Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate Descriptor: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase, PHOSPHATE ION Authors: Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S. Deposit date: 2008-03-04 Release date: 2008-05-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure of the covalent adduct formed between Mycobacterium tuberculosis beta-lactamase and clavulanate. Biochemistry, 47, 2008
3RV9	Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group Descriptor: 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI Authors: Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) Deposit date: 2011-05-06 Release date: 2012-05-09 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
2ZYQ	Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis Descriptor: D(-)-TARTARIC ACID, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC Authors: D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N. Deposit date: 2009-01-28 Release date: 2009-03-10 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis. Plos Pathog., 5, 2009
3AFE	Crystal structure of the HsaA monooxygenase from M.tuberculosis Descriptor: Hydroxylase, putative Authors: D'Angelo, I, Lin, L.Y, Dresen, C, Tocheva, E.I, Eltis, L.D, Strynadka, N. Deposit date: 2010-02-28 Release date: 2010-05-26 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: A flavin-dependent monooxygenase from Mycobacterium tuberculosis involved in cholesterol catabolism J.Biol.Chem., 285, 2010
4FX0	Crystal structure of M. tuberculosis transcriptional regulator MosR Descriptor: PROBABLE TRANSCRIPTIONAL REPRESSOR PROTEIN Authors: Brugarolas, P, He, C. Deposit date: 2012-07-02 Release date: 2012-09-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.6981 Å) Cite: The Oxidation-sensing Regulator (MosR) Is a New Redox-dependent Transcription Factor in Mycobacterium tuberculosis. J.Biol.Chem., 287, 2012
2WOQ	Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2) Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALAREMYCIN 2, ... Authors: Heinemann, I.U, Schulz, C, Schubert, W.-D, Heinz, D.W, Wang, Y.-G, Kobayashi, Y, Awa, Y, Wachi, M, Jahn, D, Jahn, M. Deposit date: 2009-07-27 Release date: 2009-10-27 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin. Antimicrob. Agents Chemother., 54, 2010
5EP9	Crystal structure of the non-heme alpha ketoglutarate dependent epimerase SnoN from nogalamycin biosynthesis Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, FE (III) ION, ... Authors: Selvaraj, B, Lindqvist, Y, Niiranen, L, Siitonen, V, Metsa-Ketela, M, Schneider, G. Deposit date: 2015-11-11 Release date: 2016-05-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway. Proc.Natl.Acad.Sci.USA, 113, 2016
3S04	Crystal structure of Escherichia coli type I signal peptidase in complex with an Arylomycin Lipoglycopeptide Antibiotic Descriptor: 14-methylhexadec-9-enoic acid, Glyco-Arylomycin, Signal peptidase I, ... Authors: Paetzel, M, Luo, C. Deposit date: 2011-05-13 Release date: 2011-10-05 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase. J.Am.Chem.Soc., 133, 2011
3SAD	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-02 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
1KNM	Streptomyces lividans Xylan Binding Domain cbm13 in Complex with Lactose Descriptor: ENDO-1,4-BETA-XYLANASE A, GLYCEROL, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose Authors: Notenboom, V, Boraston, A.B, Williams, S.J, Kilburn, D.G, Rose, D.R. Deposit date: 2001-12-19 Release date: 2002-06-19 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.2 Å) Cite: High-resolution crystal structures of the lectin-like xylan binding domain from Streptomyces lividans xylanase 10A with bound substrates reveal a novel mode of xylan binding. Biochemistry, 41, 2002
2WP4	crystal structure of Rv3119 from Mycobacterium tuberculosis Descriptor: CALCIUM ION, GLYCEROL, MOLYBDOPTERIN-CONVERTING FACTOR SUBUNIT 2 1 Authors: Cho, H.J, Kang, B.S. Deposit date: 2009-08-03 Release date: 2010-09-01 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Crystal Structure of Rv3119 from Mycobacterium Tuberculosis To be Published
3SAZ	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-03 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3SB0	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-03 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3C11	Yeast Hsp82 N-terminal domain-Geldanamycin complex: effects of mutants 98-99 KS-AA Descriptor: ATP-dependent molecular chaperone HSP82, GELDANAMYCIN, GLYCEROL Authors: Immormino, R.M, Gewirth, D.T. Deposit date: 2008-01-21 Release date: 2008-07-29 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin To be Published
3S9I	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor Descriptor: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-01 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3S9Z	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-bromophenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-02 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.793 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
5EPA	Crystal structure of non-heme alpha ketoglutarate dependent carbocyclase SnoK from nogalamycin biosynthesis Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, MAGNESIUM ION, ... Authors: Selvaraj, B, Lindqvist, Y, Siitonen, V, Niiranen, L, Metsa-Ketela, M, Schneider, G. Deposit date: 2015-11-11 Release date: 2016-05-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway. Proc.Natl.Acad.Sci.USA, 113, 2016
5SCQ	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-614 Descriptor: Dihydrofolate reductase, N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-614 to be published
5SCU	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-888 Descriptor: 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-888 to be published
5SCY	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198 Descriptor: 1,2-ETHANEDIOL, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid, Dihydrofolate reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198 to be published
5SCW	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-916 Descriptor: (2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-916 to be published
5SD2	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer) Descriptor: (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer) to be published
5SD0	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1225 Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1225 to be published
5SCT	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-783 Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-783 to be published
5SD3	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1088 Descriptor: 1,2-ETHANEDIOL, 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid, Dihydrofolate reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-20 Release date: 2022-02-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1088 to be published

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