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5OIT	InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine Descriptor: 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Convery, M.A. Deposit date: 2017-07-19 Release date: 2018-02-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
5OIS	InhA (T2A mutant) complexed with 4-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(2-chloro-4-fluorobenzyl)benzamide Descriptor: 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Convery, M.A. Deposit date: 2017-07-19 Release date: 2018-02-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
8EVN	Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with N-oxalylglycine (NOG) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-ketoglutarate-dependent sulfate ester dioxygenase, N-OXALYLGLYCINE, ... Authors: Juan, T.-J, Leung, I, Squire, C.J. Deposit date: 2022-10-20 Release date: 2023-10-25 Method: X-RAY DIFFRACTION (2.644 Å) Cite: Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216 To Be Published
4U0G	Crystal Structure of M. tuberculosis ClpP1P2 bound to ADEP and agonist Descriptor: ADEP-2B5Me, ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2, ... Authors: Schmitz, K.R, Carney, D.W, Sello, J.K, Sauer, R.T. Deposit date: 2014-07-11 Release date: 2014-10-08 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (3.1978 Å) Cite: Crystal structure of Mycobacterium tuberculosis ClpP1P2 suggests a model for peptidase activation by AAA+ partner binding and substrate delivery. Proc.Natl.Acad.Sci.USA, 111, 2014
7ARU	L254N mutant of carboxypeptidase T from Thermoactinomyces vulgaris N-sulfamoyl-L-valine Descriptor: (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid, CALCIUM ION, Carboxypeptidase T, ... Authors: Timofeev, V.I, Akparov, V.K, Kuranova, I.P. Deposit date: 2020-10-26 Release date: 2020-11-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.05 Å) Cite: L254N mutant of carboxypeptidase T from Thermoactinomyces vulgaris N-sulfamoyl-L-valine To Be Published
8C9I	Cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis Descriptor: Cytochrome P450 141, HEME B/C Authors: Selvam, I.R. Deposit date: 2023-01-23 Release date: 2024-02-07 Method: X-RAY DIFFRACTION (2.05 Å) Cite: 2.05 Angstrom structure of cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis To Be Published
4G3Q	Crystal structure of GlmU from Mycobacterium tuberculosis Snapshot 4 Descriptor: Bifunctional protein GlmU, COBALT (II) ION, MAGNESIUM ION, ... Authors: Jagtap, P.A, Verma, S.K, Prakash, B. Deposit date: 2012-07-15 Release date: 2013-08-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Snapshots of Glmu from Mycobacterium Tuberculosis To be Published
4V56	Crystal structure of the bacterial ribosome from Escherichia coli in complex with spectinomycin. Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... Authors: Borovinskaya, M.A, Shoji, S, Holton, J.M, Fredrick, K, Cate, J.H.D. Deposit date: 2007-07-21 Release date: 2014-07-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.93 Å) Cite: A steric block in translation caused by the antibiotic spectinomycin. Acs Chem.Biol., 2, 2007
5OIN	InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide Authors: Convery, M.A. Deposit date: 2017-07-19 Release date: 2018-02-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.82 Å) Cite: Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
4G1X	Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine Descriptor: 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... Authors: Hudson, S.A. Deposit date: 2012-07-11 Release date: 2012-09-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
4G3S	Crystal structure of GlmU from Mycobacterium tuberculosis in complex with uridine-diphosphate-n-acetylglucosamine and pyrophosphate Snapshot 2 Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein GlmU, COBALT (II) ION, ... Authors: Jagtap, P.A, Verma, S.K, Prakash, B. Deposit date: 2012-07-15 Release date: 2013-08-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Structural Snapshots of Glmu from Mycobacterium Tuberculosis To be Published
5OIM	InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Convery, M.A. Deposit date: 2017-07-19 Release date: 2018-02-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
5OIL	InhA (T2A mutant) complexed with 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea Descriptor: 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea, 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], ... Authors: Convery, M.A. Deposit date: 2017-07-19 Release date: 2018-02-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
5OIF	InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine Descriptor: 5-methyl-2-(phenylmethyl)pyrazol-3-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Convery, M.A. Deposit date: 2017-07-18 Release date: 2018-02-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
4V9R	Crystal structure of antibiotic DITYROMYCIN bound to 70S ribosome Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... Authors: Bulkley, D.P, Brandi, L, Polikanov, Y.S, Fabbretti, A, O'Connor, M, Gualerzi, C.O, Steitz, T.A. Deposit date: 2013-12-05 Release date: 2014-07-09 Last modified: 2014-12-10 Method: X-RAY DIFFRACTION (3 Å) Cite: The antibiotics dityromycin and GE82832 bind protein S12 and block EF-G-catalyzed translocation. Cell Rep, 6, 2014
4V64	Crystal structure of the bacterial ribosome from Escherichia coli in complex with hygromycin B. Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... Authors: Borovinskaya, M.A, Shoji, S, Fredrick, K, Cate, J.H.D. Deposit date: 2008-06-11 Release date: 2014-07-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Structural basis for hygromycin B inhibition of protein biosynthesis Rna, 14, 2008
1A4H	STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN COMPLEX WITH GELDANAMYCIN Descriptor: GELDANAMYCIN, HEAT SHOCK PROTEIN 90 Authors: Prodromou, C, Roe, S.M, Pearl, L.H. Deposit date: 1998-01-29 Release date: 1998-08-05 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone Cell(Cambridge,Mass.), 90, 1997
8DWR	Crystal structure of the L333V variant of catalase-peroxidase from Mycobacterium tuberculosis Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Diaz-Vilchis, A, Uribe-Vazquez, B, Avila-Linares, A, Rudino-Pinera, E, Soberon, X. Deposit date: 2022-08-01 Release date: 2023-08-02 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Characterization of a catalase-peroxidase variant (L333V-KatG) identified in an INH-resistant Mycobacterium tuberculosis clinical isolate. Biochem Biophys Rep, 37, 2024
8F2L	Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE Authors: Jayasinghe, Y.P, Ronning, D.R. Deposit date: 2022-11-08 Release date: 2023-03-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase. Acs Infect Dis., 9, 2023
5KNQ	Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... Authors: Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. Deposit date: 2016-06-28 Release date: 2017-09-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.553 Å) Cite: Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
5KNY	Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic acid Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid Authors: Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. Deposit date: 2016-06-28 Release date: 2017-09-20 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
5KVV	Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... Authors: Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2016-07-15 Release date: 2016-09-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis To Be Published
5JQQ	Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form Descriptor: GLYCEROL, Glucosyl-3-phosphoglycerate synthase Authors: Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E. Deposit date: 2016-05-05 Release date: 2016-12-21 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form To Be Published
5KNP	Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... Authors: Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. Deposit date: 2016-06-28 Release date: 2017-09-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
6VS9	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11) Descriptor: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-10 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.842 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020

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