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Structure paper

TitleMycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
Journal, issue, pagesJ. Biol. Chem., Vol. 291, Page 27421-27432, Year 2016
Publish dateJun 25, 2015 (structure data deposition date)
AuthorsHuang, H.L. / Krieger, I.V. / Parai, M.K. / Gawandi, V.B. / Sacchettini, J.C.
External linksJ. Biol. Chem. / PubMed:27738104
MethodsX-ray diffraction
Resolution1.943 - 2.85 Å
Structure data

PDB-5c7v:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-pyrrole-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.504 Å

PDB-5c9r:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-((4-chlorophenyl)thio)propanoic acid
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5c9u:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(2-(2,4-dichlorophenyl)hydrazinyl)-2-oxoacetic acid
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5c9w:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with (Z)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.0928 Å

PDB-5c9x:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,4-dichloro-5-fluorobenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5cah:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.303 Å

PDB-5cak:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-5cbb:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylate
Method: X-RAY DIFFRACTION / Resolution: 2.012 Å

PDB-5cbi:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-chloro-2-hydroxybenzonitrile
Method: X-RAY DIFFRACTION / Resolution: 1.988 Å

PDB-5cbj:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(phenylthio)acrylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.957 Å

PDB-5ccz:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine
Method: X-RAY DIFFRACTION / Resolution: 2.136 Å

PDB-5cew:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(pyridin-4-yl)thiazolidine-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-5cjm:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-5cjn:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)acrylate
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-5drc:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-5dri:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-5dx7:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(5-chlorothiophen-2-yl)isoxazole-3-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5e9x:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.943 Å

PDB-5ecv:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.085 Å

PDB-5h8m:
Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-5h8p:
Crystal structure of Mycobacterium tuberculosis malate synthase in apo form
Method: X-RAY DIFFRACTION / Resolution: 2.105 Å

PDB-5h8u:
Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-5t8g:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-oxo-4-((thiophene-2-carbonyl)oxy)butanoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-PYC:
PYRROLE-2-CARBOXYLATE

ChemComp-HOH:
WATER

ChemComp-4YZ:
3-[(4-chlorophenyl)sulfanyl]propanoic acid

ChemComp-4Z1:
[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid

ChemComp-4Z3:
(2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide

ChemComp-4Z4:
2,4-dichloro-5-fluorobenzoic acid

ChemComp-4ZA:
6H-thieno[2,3-b]pyrrole-5-carboxylic acid

ChemComp-4Z9:
(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

ChemComp-4ZF:
(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid

ChemComp-4ZC:
5-chloro-2-hydroxybenzonitrile

ChemComp-4ZD:
(2E)-3-(phenylsulfanyl)prop-2-enoic acid

ChemComp-50C:
3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine

ChemComp-6MW:
(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid

ChemComp-4WL:
4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID

ChemComp-52F:
3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

ChemComp-5ER:
(2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid

ChemComp-5EQ:
(2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid

ChemComp-5H6:
5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

ChemComp-5LA:
2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid

ChemComp-5M2:
(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

ChemComp-LMR:
(2S)-2-hydroxybutanedioic acid

ChemComp-GLV:
GLYOXYLIC ACID

ChemComp-4Z0:
(3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE / Fragment / Complex / Inhibitor / OXIDOREDUCTASE / acetyl-transferase / Acetyltransferase / transferase/transferase inhibitor / transferase-transferase inhibitor complex

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