2QVZ
| 4-Chlorobenzoyl-CoA Ligase/Synthetase, I303A mutation, bound to 3-Chlorobenzoate | Descriptor: | 3-chlorobenzoate, 4-Chlorobenzoate CoA Ligase/Synthetase | Authors: | Wu, R, Reger, A.S, Cao, J, Gulick, A.M, Dunaway-Mariano, D. | Deposit date: | 2007-08-09 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. Biochemistry, 46, 2007
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1YO5
| Analysis of the 2.0A crystal structure of the protein-DNA complex of human PDEF Ets domain bound to the prostate specific antigen regulatory site | Descriptor: | Enhancer site of Prostate Specific Antigen Promoter Region, SAM pointed domain containing ets transcription factor | Authors: | Wang, Y, Feng, L, Said, M, Balderman, S, Fayazi, Z, Liu, Y, Ghosh, D, Gulick, A.M. | Deposit date: | 2005-01-26 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of the 2.0 A Crystal Structure of the Protein-DNA Complex of the Human PDEF Ets Domain Bound to the Prostate Specific Antigen Regulatory Site Biochemistry, 44, 2005
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6N8E
| Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa | Descriptor: | 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ... | Authors: | Kreitler, D.F, Wencewicz, T.A, Gulick, A.M. | Deposit date: | 2018-11-29 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase. Nat Commun, 10, 2019
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6OJC
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7TGK
| Crystal structure of ATP bound DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Patel, K.D, Gulick, A.M. | Deposit date: | 2022-01-07 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD. J.Biol.Chem., 298, 2022
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7TGL
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7TGJ
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7TGN
| Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces violaceus salmycin biosynthetic pathway | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Desferrioxamine synthetase DesD, ... | Authors: | Patel, K.D, Gulick, A.M. | Deposit date: | 2022-01-07 | Release date: | 2022-07-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD. J.Biol.Chem., 298, 2022
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7TGM
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6E8Y
| Unliganded Human Glycerol 3-Phosphate Dehydrogenase | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | Authors: | Mydy, L.S, Gulick, A.M. | Deposit date: | 2018-07-31 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies. Biochemistry, 58, 2019
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6E90
| Ternary complex of human glycerol 3-phosphate dehydrogenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, ... | Authors: | Mydy, L.S, Gulick, A.M. | Deposit date: | 2018-07-31 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies. Biochemistry, 58, 2019
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5T3D
| 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
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6Q2M
| Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA | Descriptor: | (2S,5S)-hexane-2,5-diol, 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, ... | Authors: | Patel, K.D, Gulick, A.M. | Deposit date: | 2019-08-08 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mutagenesis and Structural Studies Reveal the Basis for the Activity and Stability Properties That Distinguish thePhotinusLuciferasesscintillansandpyralis. Biochemistry, 58, 2019
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6OJD
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4DG9
| Structure of holo-PA1221, an NRPS protein containing adenylation and PCP domains bound to vinylsulfonamide inhibitor | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, PA1221 | Authors: | Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M. | Deposit date: | 2012-01-25 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains. Biochemistry, 51, 2012
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4DG8
| Structure of PA1221, an NRPS protein containing adenylation and PCP domains | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, PA1221 | Authors: | Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M. | Deposit date: | 2012-01-25 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains. Biochemistry, 51, 2012
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4YLM
| Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway | Descriptor: | GLYCEROL, Pyoverdine biosynthesis protein PvcB | Authors: | Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A. | Deposit date: | 2015-03-05 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products. Biochemistry, 54, 2015
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4ZXH
| Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4'-PHOSPHOPANTETHEINE, ABBFA_003403, ... | 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 (2.7 Å) | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases. Nature, 529, 2016
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4ZXI
| 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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4G35
| Mcl-1 in complex with a biphenyl cross-linked Noxa peptide. | Descriptor: | 4,4'-bis(bromomethyl)biphenyl, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa BH3 peptide (cysteine-mediated cross-linked) | Authors: | Drake, E, Edwardraja, S, Lin, Q, Gulick, A.M. | Deposit date: | 2012-07-13 | Release date: | 2012-12-05 | Last modified: | 2013-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational design of proteolytically stable, cell-permeable peptide-based selective Mcl-1 inhibitors. J.Am.Chem.Soc., 134, 2012
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4G36
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4G37
| Structure of cross-linked firefly luciferase in second catalytic conformation | Descriptor: | 4,4'-(ethylenediimino)bis[4-oxobutyrate], 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, CHLORIDE ION, ... | Authors: | Sundlov, J.A, Branchini, B.R, Gulick, A.M. | Deposit date: | 2012-07-13 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Crystal structure of firefly luciferase in a second catalytic conformation supports a domain alternation mechanism. Biochemistry, 51, 2012
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6C4C
| Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate | Descriptor: | 3-NITROPROPANOIC ACID, GLYOXYLIC ACID, Isocitrate lyase 1, ... | Authors: | Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M. | Deposit date: | 2018-01-11 | Release date: | 2018-06-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition. ACS Chem. Biol., 13, 2018
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6CN7
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4HKG
| Crystal Structure of Free-Standing Peptidyl Carrier Protein from Uncharacterized Acinetobacter baumannii Secondary Metabolic Pathway | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Allen, C.L, Gulick, A.M. | Deposit date: | 2012-10-15 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3002 Å) | Cite: | Structural and bioinformatic characterization of an Acinetobacter baumannii type II carrier protein. Acta Crystallogr. D Biol. Crystallogr., 70, 2014
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