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6ECV
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BU of 6ecv by Molmil
StiD O-MT residues 976-1266
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECT
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BU of 6ect by Molmil
StiE O-MT residues 961-1257
Descriptor: S-ADENOSYLMETHIONINE, StiE protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECU
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BU of 6ecu by Molmil
SeMet substituted StiD O-MT residues 976-1266
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
5T3D
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BU of 5t3d by Molmil
Crystal structure of holo-EntF a nonribosomal peptide synthetase in the thioester-forming conformation
Descriptor: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, Enterobactin synthase component F
Authors:Miller, B.R, Drake, E.J, Sundlov, J.A, Gulick, A.M.
Deposit date:2016-08-25
Release date:2016-09-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
5TZ7
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BU of 5tz7 by Molmil
Crystal Structure of CurK Dehydratase D1169N Inactive Mutant
Descriptor: CITRATE ANION, CurK
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2016-11-21
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
5THZ
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BU of 5thz by Molmil
Crystal structure of CurJ carbon methyltransferase
Descriptor: CITRATE ANION, CurJ, GLYCEROL, ...
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2016-09-30
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Domain Organization and Active Site Architecture of a Polyketide Synthase C-methyltransferase.
ACS Chem. Biol., 11, 2016
5THY
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BU of 5thy by Molmil
Crystal structure of SeMet-Substituted CurJ carbon methyltransferase
Descriptor: CurJ, OXIDIZED GLUTATHIONE DISULFIDE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2016-09-30
Release date:2016-10-19
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Domain Organization and Active Site Architecture of a Polyketide Synthase C-methyltransferase.
ACS Chem. Biol., 11, 2016
5TZ6
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BU of 5tz6 by Molmil
Crystal Structure of CurJ Dehydratase H978F Inactive Mutant In Complex with Compound 21
Descriptor: (2E,5R)-5-hydroxy-2-methylhept-2-enoic acid, CurJ
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2016-11-21
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
5TZ5
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BU of 5tz5 by Molmil
Crystal Structure of CurK Dehydratase H996F Inactive Mutant
Descriptor: CurK
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2016-11-21
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
5E0N
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BU of 5e0n by Molmil
Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis
Descriptor: Enoyl-CoA hydratase/isomerase
Authors:Priyadarshan, K, Haque, A.S, Anandakrishnan, M, Sankaranarayanan, R.
Deposit date:2015-09-29
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase.
Chem.Biol., 22, 2015
7U22
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BU of 7u22 by Molmil
Mycobacterium tuberculosis RNA polymerase sigma A holoenzyme open promoter complex containing UMN-7
Descriptor: (9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Molodtsov, V, Ebright, R.H.
Deposit date:2022-02-22
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.87 Å)
Cite:Redesign of Rifamycin Antibiotics to Overcome ADP-Ribosylation-Mediated Resistance.
Angew.Chem.Int.Ed.Engl., 61, 2022
4MQQ
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BU of 4mqq by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide
Descriptor: (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4MQP
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BU of 4mqp by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole
Descriptor: (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4MQR
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BU of 4mqr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate
Descriptor: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
6VHT
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BU of 6vht by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in space group C2
Descriptor: BROMIDE ION, CHLORIDE ION, NpsA Adenylation Domain
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHX
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BU of 6vhx by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxyanthranilyl-AMSN
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, ...
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHU
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BU of 6vhu by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in space group P21
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHV
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BU of 6vhv by Molmil
Klebsiella oxytoca NpsA in complex with 3-hydroxyanthranilyl-AMSN
Descriptor: 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, NpsA Adenylation Domain
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHW
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BU of 6vhw by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxybenzoyl-AMSN
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine, BROMIDE ION, ...
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHZ
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BU of 6vhz by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in complex with anthranilyl-AMSN
Descriptor: 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, CHLORIDE ION, ...
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
4CXR
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BU of 4cxr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine
Descriptor: 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
Authors:Dai, R, Geders, T.W, Finzel, B.C.
Deposit date:2014-04-08
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
3RG2
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BU of 3rg2 by Molmil
Structure of a two-domain NRPS fusion protein containing the EntE adenylation domain and EntB aryl-carrier protein from enterobactin biosynthesis
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, Enterobactin synthase component E (entE), ...
Authors:Sundlov, J.A, Gulick, A.M.
Deposit date:2011-04-07
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Functional Investigation of the Intermolecular Interaction between NRPS Adenylation and Carrier Protein Domains.
Chem.Biol., 19, 2012
3RUX
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BU of 3rux by Molmil
Crystal structure of biotin-protein ligase BirA from Mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor
Descriptor: 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, BirA bifunctional protein
Authors:Geders, T.W, Finzel, B.C.
Deposit date:2011-05-05
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bisubstrate Adenylation Inhibitors of Biotin Protein Ligase from Mycobacterium tuberculosis.
Chem.Biol., 18, 2011
4Z0M
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BU of 4z0m by Molmil
EchA5 Mycobacterium tuberculosis
Descriptor: Enoyl-CoA hydratase
Authors:Chaudhary, S, Gokhale, R.S.
Deposit date:2015-03-26
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase
Chem.Biol., 22, 2015
4ZXI
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BU of 4zxi by Molmil
Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M.
Deposit date:2015-05-20
Release date:2015-12-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016

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