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6YY8
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BU of 6yy8 by Molmil
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ...
Authors:Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L.
Deposit date:2020-05-04
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
6Z0Q
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BU of 6z0q by Molmil
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 2
Descriptor: Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION, ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate
Authors:Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L.
Deposit date:2020-05-10
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
6Z0R
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BU of 6z0r by Molmil
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 1
Descriptor: 1,2-ETHANEDIOL, 4-azanylpyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ...
Authors:Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L.
Deposit date:2020-05-10
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.308 Å)
Cite:Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
6P02
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BU of 6p02 by Molmil
Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex
Descriptor: 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-16
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6OZ8
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BU of 6oz8 by Molmil
Crystal structure of Mtb aspartate decarboxylase in active form
Descriptor: Aspartate 1 decarboxylase alpha chain, Aspartate 1 decarboxylase beta chain
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-15
Release date:2020-02-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
7MSM
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BU of 7msm by Molmil
Mtb 70SIC in complex with MtbEttA at Trans_R0 state
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Cui, Z, Zhang, J.
Deposit date:2021-05-11
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
6P1Y
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BU of 6p1y by Molmil
Crystal structure of Mtb aspartate decarboxylase mutant M117I
Descriptor: AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ...
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-20
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
1A6R
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BU of 1a6r by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A
Descriptor: GAL6, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
6PI4
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BU of 6pi4 by Molmil
Crystal structure of ATP synthase epsion chain ATP synthase epsilon chain (ATP synthase F1 sector epsilon subunit) (F-ATPase epsilon subunit) from Mycobacterium smegmatis
Descriptor: ATP synthase epsilon chain, CACODYLATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-06-25
Release date:2019-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of ATP synthase epsion chain ATP synthase epsilon chain (ATP synthase F1 sector epsilon subunit) (F-ATPase epsilon subunit) from Mycobacterium smegmatis
to be published
6OMZ
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BU of 6omz by Molmil
Crystal Structure of Dihydropteroate synthase from Mycobacterium smegmatis with bound 6-hydroxymethylpterin-monophosphate
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-04-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Dihydropteroate synthase from Mycobacterium smegmatis with bound 6-hydroxymethylpterin-monophosphate
to be published
6YJ2
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BU of 6yj2 by Molmil
Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism
Descriptor: GLYCEROL, Probable transcriptional regulatory protein (Probably TetR-family)
Authors:Keep, N.H, Pritchard, J.E, Sula, A, Cole, A.R, Kendall, S.L.
Deposit date:2020-04-02
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism
To be published
6UDF
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BU of 6udf by Molmil
Crystal structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], FORMIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-09-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal stucture of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii
to be published
1C8I
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BU of 1c8i by Molmil
BINDING MODE OF HYDROXYLAMINE TO ARTHROMYCES RAMOSUS PEROXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ...
Authors:Wariishi, H, Nonaka, D, Johjima, T, Nakamura, N, Naruta, Y, Kubo, K, Fukuyama, K.
Deposit date:2000-05-08
Release date:2001-01-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct binding of hydroxylamine to the heme iron of Arthromyces ramosus peroxidase. Substrate analogue that inhibits compound I formation in a competetive manner.
J.Biol.Chem., 275, 2000
8CKN
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BU of 8ckn by Molmil
Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Selvam, I.R.
Deposit date:2023-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:1.54 Angstrom structure of cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
To Be Published
6U7A
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BU of 6u7a by Molmil
Rv3722c in complex with kynurenine
Descriptor: (2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-hydroxyquinoline-2-carboxylic acid, ...
Authors:Mandyoli, L, Sacchettini, J.
Deposit date:2019-09-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
6ULD
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BU of 6uld by Molmil
Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis with bound PLP forming a Schiff base with substrate Serine in one monomer and PLP forming a Schiff base with product Glycine in the other monomer
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-10-07
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis with bound PLP forming a Schiff base with substrate Serine in one monomer and PLP forming a Schiff base with product Glycine in the other monomer
to be published
6U78
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BU of 6u78 by Molmil
Rv3722c in complex with glutamic acid
Descriptor: Aminotransferase, GLUTAMIC ACID, GLYCEROL, ...
Authors:Mandyoli, L, Sacchettini, J.C.
Deposit date:2019-08-31
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
6URF
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BU of 6urf by Molmil
Malic enzyme from Mycobacterium tuberculosis
Descriptor: GLYCEROL, NAD-dependent malic enzyme
Authors:Cuthbert, B.J, Burley, K.H, Goulding, C.W, Mathews, E.I, Beste, D.J.
Deposit date:2019-10-23
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target.
Acs Infect Dis., 7, 2021
6UWW
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BU of 6uww by Molmil
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with P218 inhibitor
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-05
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor
to be published
6VPT
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BU of 6vpt by Molmil
Crystal structure and mechanistic molecular modeling studies of Rv3377c: the Mycobacterium tuberculosis diterpene cyclase
Descriptor: Cyclase
Authors:Zhang, T, Prach, L, DiMaio, F, Siegel, J.
Deposit date:2020-02-04
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c.
Biochemistry, 59, 2020
6TZV
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BU of 6tzv by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis
Descriptor: 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-08-13
Release date:2020-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis
To Be Published
6VB9
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BU of 6vb9 by Molmil
Covalent adduct of cis-2,3-epoxysuccinic acid with Isocitrate Lyase-1 from Mycobacterium tuberculosis
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Isocitrate lyase, ...
Authors:Krieger, I.V, Pham, T.V, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-12-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
8EBG
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BU of 8ebg by Molmil
Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis
Descriptor: ACETIC ACID, FEIII-dicitrate-binding periplasmic lipoprotein FecB, FORMIC ACID, ...
Authors:Cuff, M, Kim, Y, Endres, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2022-08-31
Release date:2022-09-14
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis
To Be Published
6V77
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BU of 6v77 by Molmil
Crystal structure of a putative HpcE protein from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, Putative HpcE protein, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-12-07
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative HpcE protein from Mycobacterium smegmatis
To be Published
8KIF
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BU of 8kif by Molmil
The structure of MmaE with substrate
Descriptor: (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Putative dioxygenase
Authors:Chen, J, Zhou, J.
Deposit date:2023-08-23
Release date:2024-04-17
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces.
Acs Catalysis, 14, 2024

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數據於2024-10-16公開中

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