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5WW3
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BU of 5ww3 by Molmil
Crystal structure of the second DNA-Binding protein under starvation from Mycobacterium smegmatis soaked with iron in the ratio of 24 iron atoms per dodecamer
Descriptor: CHLORIDE ION, FE (II) ION, FE (III) ION, ...
Authors:Williams, S.M, Chatterji, D.
Deposit date:2016-12-31
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis
Metallomics, 9, 2017
5J1U
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BU of 5j1u by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(furan-3-ylmethyl)pyrrolidine-1-carboxamide at 1.80A resolution
Descriptor: EthR, N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5WW9
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BU of 5ww9 by Molmil
Crystal structure of R73E mutant of the second DNA-Binding protein under starvation from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ...
Authors:Williams, S.M, Chatterji, D.
Deposit date:2016-12-31
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis
Metallomics, 9, 2017
3LO7
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BU of 3lo7 by Molmil
Crystal structure of PBPA from Mycobacterium tuberculosis
Descriptor: Penicillin-binding protein A
Authors:Fedarovich, A, Davies, C.
Deposit date:2010-02-03
Release date:2010-03-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Unusual conformation of the SxN motif in the crystal structure of penicillin-binding protein A from Mycobacterium tuberculosis.
J.Mol.Biol., 398, 2010
5OCW
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BU of 5ocw by Molmil
Structure of Mycobacterium tuberculosis tryptophan synthase in space group F222
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
Authors:Futterer, K, Abrahams, K, Cox, J.A.G, Besra, G.S.
Deposit date:2017-07-03
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface.
Sci Rep, 7, 2017
5J1Y
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BU of 5j1y by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-(pyrrolidin-1-yl)-3-(tetrahydrofuran-3-yl)propan-1-one at 1.81A resolution
Descriptor: 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one, EthR
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBG
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BU of 5ibg by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
Descriptor: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5XEY
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BU of 5xey by Molmil
Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus
Descriptor: 1-[2,4,6-tris(oxidanyl)phenyl]ethanone, phloretin hydrolase
Authors:He, Y.X, Han, J.T, Jia, W.J, Zhang, Z.
Deposit date:2017-04-06
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus.
FEBS J., 2019
3DA8
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BU of 3da8 by Molmil
Crystal structure of PurN from Mycobacterium tuberculosis
Descriptor: BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ...
Authors:Zhang, Z, Squire, C.J, Baker, E.N.
Deposit date:2008-05-28
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
3DCJ
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BU of 3dcj by Molmil
Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ...
Authors:Zhang, Z, Squire, C.J, Baker, E.N.
Deposit date:2008-06-03
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
5XE5
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BU of 5xe5 by Molmil
Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, phloretin hydrolase
Authors:He, Y.X, Han, J.T, Jia, W.J, Zhang, Z.
Deposit date:2017-04-01
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus.
FEBS J., 2019
5XNX
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BU of 5xnx by Molmil
Crystallographic structure of the enzymatically active N-terminal domain of the Rel protein from Mycobacterium tuberculosis
Descriptor: Bifunctional (p)ppGpp synthase/hydrolase RelA, MAGNESIUM ION
Authors:Singal, B, Balakrishna, A.M, Manimekalai, M.S.S, Nartey, W, Gruber, G.
Deposit date:2017-05-24
Release date:2017-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystallographic and solution structure of the N-terminal domain of the Rel protein from Mycobacterium tuberculosis
FEBS Lett., 591, 2017
6ECI
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BU of 6eci by Molmil
Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ...
Authors:Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J.
Deposit date:2018-08-07
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress.
J. Biol. Chem., 294, 2019
5Y06
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BU of 5y06 by Molmil
Structural characterization of msmeg_4306 from Mycobacterium smegmatis
Descriptor: GLYCEROL, ZINC ION, msmeg_4306
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2017-07-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Crystal structure of the MSMEG_4306 gene product from Mycobacterium smegmatis
Acta Crystallogr F Struct Biol Commun, 74, 2018
5YDD
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BU of 5ydd by Molmil
Crystal structure of C-terminal domain of Rv1828 from Mycobacterium tuberculosis
Descriptor: (6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid, GLYCEROL, SODIUM ION, ...
Authors:Singh, S, Karthiekeyan, S.
Deposit date:2017-09-12
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characteristics of the essential pathogenicity factor Rv1828, a MerR family transcription regulator from Mycobacterium tuberculosis.
FEBS J., 285, 2018
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5Y05
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BU of 5y05 by Molmil
Structural characterization of msmeg_4306 from Mycobacterium smegmatis
Descriptor: ZINC ION, msmeg_4306
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2017-07-14
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Crystal structure of the MSMEG_4306 gene product from Mycobacterium smegmatis
Acta Crystallogr F Struct Biol Commun, 74, 2018
5J1R
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BU of 5j1r by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one at 1.92A resolution
Descriptor: 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one, EthR
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
6TH2
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BU of 6th2 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
6I2Q
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BU of 6i2q by Molmil
Crystal structure of the wild-type SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), in complex with GarA
Descriptor: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ...
Authors:Wagner, T, Bellinzoni, M, Alzari, P.M.
Deposit date:2018-11-01
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
5YDC
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BU of 5ydc by Molmil
Crystal structure of mercury soaked C-terminal domain of Rv1828 from Mycobacterium tuberculosis
Descriptor: MERCURY (II) ION, SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv1828
Authors:Singh, S, Karthikeyan, S.
Deposit date:2017-09-12
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Characteristics of the essential pathogenicity factor Rv1828, a MerR family transcription regulator from Mycobacterium tuberculosis.
FEBS J., 285, 2018
5YRX
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BU of 5yrx by Molmil
Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Nucleoid-associated protein Rv3716c
Authors:Deka, G, Gopalan, A, Prabhavathi, M, Savithri, H.S, Raja, A, Murthy, M.R.N.
Deposit date:2017-11-10
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biophysical characterization of Rv3716c, a hypothetical protein from Mycobacterium tuberculosis
Biochem. Biophys. Res. Commun., 495, 2018
5IOZ
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BU of 5ioz by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)cyclopentanecarboxamide at 2.02A resolution
Descriptor: N-(cyclopentylmethyl)cyclopentanecarboxamide, TetR-family transcriptional regulatory repressor protein
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5IP6
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BU of 5ip6 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-((tetrahydrofuran-3-yl)methyl)pyrrolidine-1-carboxamide at 1.93A resolution
Descriptor: N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide, TetR-family transcriptional regulatory repressor protein
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017

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数据于2024-09-25公开中

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