7TGM
| |
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
|
|
2FQ1
| Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Isochorismatase, ... | Authors: | Drake, E.J, Nicolai, D.A, Gulick, A.M. | Deposit date: | 2006-01-17 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain. Chem.Biol., 13, 2006
|
|
6E8Z
| |
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
|
|
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
|
|
6OJC
| |
6OJD
| |
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
|
|
6C4A
| Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with pyruvate | Descriptor: | 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 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 (1.8 Å) | Cite: | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition. ACS Chem. Biol., 13, 2018
|
|
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
|
|
6CN7
| |
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
|
|
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
|
|
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
|
|
5JA1
| EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the MbtH-Like Protein YbdZ | 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, CHLORIDE ION, Enterobactin biosynthesis protein YbdZ, ... | Authors: | Miller, B.R, Gulick, A.M. | Deposit date: | 2016-04-11 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture. J.Biol.Chem., 291, 2016
|
|
5JA2
| EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the non-Native MbtH-Like Protein PA2412 | 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, MbtH-Like Protein PA2412, ... | Authors: | Miller, B.R, Gulick, A.M. | Deposit date: | 2016-04-11 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture. J.Biol.Chem., 291, 2016
|
|
4OOF
| M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203F mutant bound to fosmidomycin and NADPH | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M. | Deposit date: | 2014-01-31 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin. Biochemistry, 53, 2014
|
|
4OOE
| M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin and NADPH | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M. | Deposit date: | 2014-01-31 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.826 Å) | Cite: | Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin. Biochemistry, 53, 2014
|
|
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
|
|
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
|
|
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
|
|
4G36
| |
3CW9
| 4-Chlorobenzoyl-CoA Ligase/Synthetase in the Thioester-forming Conformation, bound to 4-chlorophenacyl-CoA | Descriptor: | 1,2-ETHANEDIOL, 4-Chlorophenacyl-coenzyme A, 4-chlorobenzoyl CoA ligase, ... | Authors: | Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M. | Deposit date: | 2008-04-21 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. Biochemistry, 47, 2008
|
|
3CW8
| 4-Chlorobenzoyl-CoA Ligase/Synthetase, bound to 4CBA-Adenylate | Descriptor: | 1,2-ETHANEDIOL, 4-chlorobenzoyl CoA ligase, 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine | Authors: | Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M. | Deposit date: | 2008-04-21 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. Biochemistry, 47, 2008
|
|