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5UPS
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BU of 5ups by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand
Descriptor: 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5UPT
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BU of 5upt by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Descriptor: (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5W27
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BU of 5w27 by Molmil
Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
Descriptor: Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
Authors:Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-06-05
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
To Be Published
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
Descriptor: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
Authors:Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
Deposit date:2017-09-06
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
6AX6
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BU of 6ax6 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
Descriptor: FE (II) ION, IODIDE ION, Procollagen lysyl hydroxylase and glycosyltransferase
Authors:Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
Deposit date:2017-09-06
Release date:2018-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
7ABP
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BU of 7abp by Molmil
SUGAR-BINDING AND CRYSTALLOGRAPHIC STUDIES OF AN ARABINOSE-BINDING PROTEIN MUTANT (MET108LEU) WHICH EXHIBITS ENHANCED AFFINITY AND ALTERED SPECIFICITY
Descriptor: L-ARABINOSE-BINDING PROTEIN, alpha-D-fucopyranose, beta-D-fucopyranose
Authors:Vermersch, P.S, Tesmer, J.J.G, Quiocho, F.A.
Deposit date:1991-04-25
Release date:1991-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Sugar-binding and crystallographic studies of an arabinose-binding protein mutant (Met108Leu) that exhibits enhanced affinity and altered specificity.
Biochemistry, 30, 1991
8EBI
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BU of 8ebi by Molmil
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8ECF
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BU of 8ecf by Molmil
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.736 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBR
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BU of 8ebr by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
Descriptor: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EC4
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BU of 8ec4 by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 240ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
4WKY
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BU of 4wky by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2
Descriptor: 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ...
Authors:Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-10-03
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAU
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BU of 4xau by Molmil
Crystal structure of AtS13 from Actinomadura melliaura
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase
Authors:Wang, F, Singh, S, Xu, W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-12-15
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.0012 Å)
Cite:Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
4XRR
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BU of 4xrr by Molmil
Crystal structure of cals8 from micromonospora echinospora (P294S mutant)
Descriptor: CalS8, GLYCEROL
Authors:Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-01-21
Release date:2015-02-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis.
J. Biol. Chem., 290, 2015
4XT0
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BU of 4xt0 by Molmil
Crystal Structure of Beta-etherase LigF from Sphingobium sp. strain SYK-6
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONE, PENTAETHYLENE GLYCOL, ...
Authors:Helmich, K.E, Bingman, C.A, Donohue, T.J, Phillips Jr, G.N.
Deposit date:2015-01-22
Release date:2016-02-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
4ZAH
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BU of 4zah by Molmil
Crystal structure of sugar aminotransferase WecE with External Aldimine VII from Escherichia coli K-12
Descriptor: [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate, dTDP-4-amino-4,6-dideoxygalactose transaminase
Authors:Wang, F, Singh, S, Cao, H, Xu, W, Miller, M.D, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-04-13
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases.
Acs Chem.Biol., 10, 2015
4ZDN
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BU of 4zdn by Molmil
Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS4
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION
Authors:Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-04-17
Release date:2015-05-13
Last modified:2023-03-22
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZWV
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BU of 4zwv by Molmil
Crystal Structure of Aminotransferase AtmS13 from Actinomadura melliaura
Descriptor: GLYCEROL, Putative aminotransferase
Authors:Kim, Y, Bigelow, L, Endres, M, Wang, F, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-05-19
Release date:2015-06-03
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
7KPT
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BU of 7kpt by Molmil
Crystal structure of CtdE in complex with FAD and substrate 4
Descriptor: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, B, Hu, L.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
Descriptor: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Zhao, B, Hu, L.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
4QBG
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BU of 4qbg by Molmil
Crystal structure of a stable adenylate kinase variant AKlse4
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Moon, S, Bae, E.
Deposit date:2014-05-08
Release date:2014-06-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Effectiveness and limitations of local structural entropy optimization in the thermal stabilization of mesophilic and thermophilic adenylate kinases.
Proteins, 82, 2014
4QBH
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BU of 4qbh by Molmil
Crystal structure of a stable adenylate kinase variant AKlse5
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Moon, S, Bae, E.
Deposit date:2014-05-08
Release date:2014-06-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Effectiveness and limitations of local structural entropy optimization in the thermal stabilization of mesophilic and thermophilic adenylate kinases.
Proteins, 82, 2014

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