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2XW7
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Structure of Mycobacterium smegmatis putative reductase MS0308
分子名称: DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Evangelopoulos, D, Gupta, A, Lack, N, Cronin, N, Daviter, T, Sim, E, Keep, N.H, Bhakta, S.
登録日2010-11-01
公開日2010-12-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of an Oxidoreductase from the Arylamine N-Acetyltransferase Operon in Mycobacterium Smegmatis.
FEBS J., 278, 2011
3N8N
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Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6
分子名称: (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-28
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3N86
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BU of 3n86 by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4
分子名称: (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-27
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3N76
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Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5
分子名称: (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-26
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3N7A
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BU of 3n7a by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2
分子名称: 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-26
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
4TZT
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BU of 4tzt by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE
分子名称: (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R.
登録日2014-07-10
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
2W3E
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BU of 2w3e by Molmil
Oxidized structure of the first GAF domain of Mycobacterium tuberculosis DosS
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, TWO COMPONENT SENSOR HISTIDINE KINASE DEVS (GAF FAMILY PROTEIN)
著者Kang, B.S, Cho, H.Y, Cho, H.J.
登録日2008-11-12
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis.
J.Biol.Chem., 284, 2009
6CVF
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BU of 6cvf by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine diphosphate
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZB
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BU of 6czb by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with uridine triphosphate (UTP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CVE
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BU of 6cve by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid
分子名称: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ...
著者Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
4F3V
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BU of 4f3v by Molmil
Crystal structure of N-terminal domain of EccA1 ATPase from ESX-1 secretion system of Mycobacterium tuberculosis
分子名称: ESX-1 secretion system protein EccA1, SAMARIUM (III) ION, SULFATE ION
著者Korotkov, K.V, Evans, T.J.
登録日2012-05-09
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the N-terminal domain of EccA1 ATPase from the ESX-1 secretion system of Mycobacterium tuberculosis.
Proteins, 82, 2014
6CVV
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BU of 6cvv by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZC
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BU of 6czc by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZE
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BU of 6cze by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
2W3H
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BU of 2w3h by Molmil
Cyanide bound structure of the first GAF domain of Mycobacterium tuberculosis DosS
分子名称: CALCIUM ION, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kang, B.S, Cho, H.Y, Cho, H.J.
登録日2008-11-12
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis.
J.Biol.Chem., 284, 2009
6E06
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BU of 6e06 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6BUV
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BU of 6buv by Molmil
Structure of Mycobacterium tuberculosis NadD in complex with inhibitor [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
分子名称: 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium, CHLORIDE ION, SODIUM ION, ...
著者Rodionova, I.A, Reed, R.W, Sorci, L, Osterman, A.L, Korotkov, K.V.
登録日2017-12-11
公開日2018-12-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Novel Antimycobacterial Compounds Suppress NAD Biogenesis by Targeting a Unique Pocket of NaMN Adenylyltransferase.
Acs Chem.Biol., 14, 2019
6E05
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BU of 6e05 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
4TRM
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BU of 4trm by Molmil
Structure of the apo form of InhA from Mycobacterium tuberculosis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
6WBX
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BU of 6wbx by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1
分子名称: CALCIUM ION, DUF3367 domain-containing protein
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-27
公開日2020-05-13
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
6WBY
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BU of 6wby by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2
分子名称: CALCIUM ION, DUF3367 domain-containing protein
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-27
公開日2020-05-13
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
3NBK
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BU of 3nbk by Molmil
Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with 4'-phosphopantetheine
分子名称: 4'-PHOSPHOPANTETHEINE, NICKEL (II) ION, Phosphopantetheine adenylyltransferase
著者Wubben, T.J, Mesecar, A.D.
登録日2010-06-03
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.
J.Mol.Biol., 404, 2010
4TRN
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BU of 4trn by Molmil
STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, INHA, ...
著者Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
5GG6
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BU of 5gg6 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP
分子名称: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GGB
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BU of 5ggb by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP
分子名称: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017

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