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5DZP
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BU of 5dzp by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B
Descriptor: (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2015-09-25
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
3HRQ
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BU of 3hrq by Molmil
The Product Template Domain from PksA with palmitate bound
Descriptor: Aflatoxin biosynthesis polyketide synthase, PALMITIC ACID
Authors:Korman, T.P, Tsai, S.C.
Deposit date:2009-06-09
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization.
Nature, 461, 2009
3ILS
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BU of 3ils by Molmil
The Thioesterase Domain from PksA
Descriptor: Aflatoxin biosynthesis polyketide synthase
Authors:Korman, T.P.
Deposit date:2009-08-07
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of an iterative polyketide synthase thioesterase domain catalyzing Claisen cyclization in aflatoxin biosynthesis.
Proc.Natl.Acad.Sci.USA, 107, 2010
5DZJ
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BU of 5dzj by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A
Descriptor: (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2015-09-25
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E5L
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BU of 5e5l by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 at 1.89 Angstrom
Descriptor: L,D-transpeptidase 1
Authors:Kumar, P, Lamichhane, G, Ginell, S.L.
Deposit date:2015-10-08
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
6OJC
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BU of 6ojc by Molmil
A high-resolution crystal structure of NocB thioesterase domain from Nocardicin cluster
Descriptor: GLYCEROL, NocB, SULFATE ION
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
6OJD
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BU of 6ojd by Molmil
A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog
Descriptor: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid, CALCIUM ION, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
4ZFQ
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BU of 4zfq by Molmil
Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form)
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, L,D-transpeptidase 5
Authors:Basta, L, Ghosh, A, Lamichhane, G, Bianchet, M.A.
Deposit date:2015-04-21
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
5DCC
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BU of 5dcc by Molmil
X-RAY CRYSTAL STRUCTURE OF a TEBIPENEM ADDUCT OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: (4S)-4-methyl-2,5,7-trioxoheptanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Pan, Y, Basta, L, Lamichhane, G, Bianchet, M.A.
Deposit date:2015-08-23
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
3S3U
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BU of 3s3u by Molmil
Crystal Structure of Uncleaved ThnT T282C
Descriptor: cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-05-18
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into cis-autoproteolysis reveal a reactive state formed through conformational rearrangement.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TM2
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BU of 3tm2 by Molmil
Crystal structure of mature ThnT with a covalently bound product mimic
Descriptor: (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
3TM1
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BU of 3tm1 by Molmil
Crystal structure of mature ThnT, a pantetheine hydrolase
Descriptor: GLYCEROL, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
7KDX
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BU of 7kdx by Molmil
Crystal structure of Streptomyces tokunonesis TokK with hydroxycobalamin, 5'-deoxyadenosine, and methionine
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXYADENOSINE, CHLORIDE ION, ...
Authors:Knox, H.L, Booker, S.J, Boal, A.K.
Deposit date:2020-10-09
Release date:2022-01-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structure of a B 12 -dependent radical SAM enzyme in carbapenem biosynthesis.
Nature, 602, 2022
7KDY
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BU of 7kdy by Molmil
Crystal structure of Streptomyces tokunonesis TokK with hydroxycobalamin, 5'-deoxyadenosine, methionine, and (2R)-pantetheinylated carbapenam
Descriptor: (2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Knox, H.L, Booker, S.J, Boal, A.K.
Deposit date:2020-10-09
Release date:2022-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Structure of a B 12 -dependent radical SAM enzyme in carbapenem biosynthesis.
Nature, 602, 2022
1NX8
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BU of 1nx8 by Molmil
Structure of carbapenem synthase (CarC) complexed with N-acetyl proline
Descriptor: 1-ACETYL-L-PROLINE, 2-OXOGLUTARIC ACID, Carbapenem synthase, ...
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-10
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
1NX4
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BU of 1nx4 by Molmil
The crystal structure of carbapenem synthase (CarC)
Descriptor: 2-OXOGLUTARIC ACID, Carbapenem synthase, FE (III) ION
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-08
Release date:2003-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
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