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1JGT
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BU of 1jgt by Molmil
CRYSTAL STRUCTURE OF BETA-LACTAM SYNTHETASE
Descriptor: BETA-LACTAM SYNTHETASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, ...
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2001-06-26
Release date:2001-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of beta-lactam synthetase reveals how to synthesize antibiotics instead of asparagine.
Nat.Struct.Biol., 8, 2001
6FIJ
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BU of 6fij by Molmil
Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
Authors:Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T.
Deposit date:2018-01-18
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:The structural organization of substrate loading in iterative polyketide synthases.
Nat. Chem. Biol., 14, 2018
6FIK
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BU of 6fik by Molmil
ACP2 crosslinked to the KS of the loading/condensing region of the CTB1 PKS
Descriptor: Polyketide synthase
Authors:Herbst, D.A, Huitt-Roehl, C.R, Jakob, R.P, Townsend, C.A, Maier, T.
Deposit date:2018-01-18
Release date:2018-03-21
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:The structural organization of substrate loading in iterative polyketide synthases.
Nat. Chem. Biol., 14, 2018
5KBZ
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BU of 5kbz by Molmil
Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic
Descriptor: (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase
Authors:Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A.
Deposit date:2016-06-03
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MPT
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BU of 5mpt by Molmil
Structure of the citrinin polyketide synthase CMeT domain
Descriptor: 1,2-ETHANEDIOL, Citrinin polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Herbst, D.A, Storm, P.A, Townsend, C.A, Maier, T.
Deposit date:2016-12-19
Release date:2017-02-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Functional and Structural Analysis of Programmed C-Methylation in the Biosynthesis of the Fungal Polyketide Citrinin.
Cell Chem Biol, 24, 2017
1MC1
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BU of 1mc1 by Molmil
BETA-LACTAM SYNTHETASE WITH PRODUCT (DGPC), AMP AND PPI
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-LACTAM SYNTHETASE, DEOXYGUANIDINOPROCLAVAMINIC ACID, ...
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2002-08-04
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots
Proc.Natl.Acad.Sci.USA, 99, 2002
1M1Z
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BU of 1m1z by Molmil
BETA-LACTAM SYNTHETASE APO ENZYME
Descriptor: BETA-LACTAM SYNTHETASE
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2002-06-20
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots
Proc.Natl.Acad.Sci.USA, 99, 2002
1MB9
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BU of 1mb9 by Molmil
BETA-LACTAM SYNTHETASE COMPLEXED WITH ATP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, BETA-LACTAM SYNTHETASE, ...
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2002-08-02
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots
Proc.Natl.Acad.Sci.USA, 99, 2002
1MBZ
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BU of 1mbz by Molmil
BETA-LACTAM SYNTHETASE WITH TRAPPED INTERMEDIATE
Descriptor: ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER, BETA-LACTAM SYNTHETASE, GLYCEROL, ...
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2002-08-04
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots
Proc.Natl.Acad.Sci.USA, 99, 2002
1Q19
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BU of 1q19 by Molmil
Carbapenam Synthetase
Descriptor: (2S,5S)-5-CARBOXYMETHYLPROLINE, CarA, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Miller, M.T, Gerratana, B, Stapon, A, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2003-07-18
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Carbapenam Synthetase (CarA)
J.Biol.Chem., 278, 2003
1Q15
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BU of 1q15 by Molmil
Carbapenam Synthetase
Descriptor: CarA
Authors:Miller, M.T, Gerratana, B, Stapon, A, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2003-07-18
Release date:2003-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Carbapenam Synthetase (CarA)
J.Biol.Chem., 278, 2003
4IHD
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BU of 4ihd by Molmil
Crystal Structure of Uncleaved ThnT T282C, derivatized at the active site with EtHg
Descriptor: ETHYL MERCURY ION, ThnT protein
Authors:Buller, A.R, Schildbach, J.F, Townsend, C.A.
Deposit date:2012-12-18
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploring the Role of Conformational Heterogeneity in cis-Autoproteolytic Activation of ThnT.
Biochemistry, 53, 2014
4IHE
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BU of 4ihe by Molmil
Crystal Structure of Uncleaved ThnT T282A
Descriptor: ThnT protein
Authors:Buller, A.R, Schildbach, J.F, Townsend, C.A.
Deposit date:2012-12-18
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploring the Role of Conformational Heterogeneity in cis-Autoproteolytic Activation of ThnT.
Biochemistry, 53, 2014
4Z7A
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BU of 4z7a by Molmil
Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5.
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ...
Authors:Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A.
Deposit date:2015-04-06
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
6BOI
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BU of 6boi by Molmil
Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354
Descriptor: (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Saavedra, H, Bianchet, M.A.
Deposit date:2017-11-20
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structures and Mechanism of Inhibition of Mycobacterium tuberculosis L,D-transpeptidase 2 by Panipenem
To Be Published
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
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
5K69
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BU of 5k69 by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224
Descriptor: (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2
Authors:Lamichhane, G, Ginell, S.L, Kumar, P.
Deposit date:2016-05-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 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
3HRR
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BU of 3hrr by Molmil
The Product Template Domain from PksA with Harris Compound Bound
Descriptor: 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one, Aflatoxin biosynthesis polyketide synthase
Authors:Korman, T.P, Tsai, S.C.
Deposit date:2009-06-09
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization.
Nature, 461, 2009
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
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
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

 

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