4JMV
 
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4JMS
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4JN0
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4JMT
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4JPU
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine | | Descriptor: | BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQM
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQN
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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1A8R
 | | GTP CYCLOHYDROLASE I (H112S MUTANT) IN COMPLEX WITH GTP | | Descriptor: | GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R. | | Deposit date: | 1998-03-27 | | Release date: | 1999-05-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biosynthesis of pteridines. Reaction mechanism of GTP cyclohydrolase I.
J.Mol.Biol., 326, 2003
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1A9C
 | | GTP CYCLOHYDROLASE I (C110S MUTANT) IN COMPLEX WITH GTP | | Descriptor: | GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R. | | Deposit date: | 1998-04-04 | | Release date: | 1999-05-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | GTP Cyclohydrolase I in Complex with GTP at 2.1 A Resolution
To be Published
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2GBS
 | | NMR structure of Rpa0253 from Rhodopseudomonas palustris. Northeast structural genomics consortium target RpR3 | | Descriptor: | Hypothetical protein Rpa0253 | | Authors: | Ramelot, T.A, Cort, J.R, Conover, K, Chen, Y, Ma, L.C, Ciano, M, Xiao, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-03-11 | | Release date: | 2006-04-11 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
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2G2X
 | | X-Ray Crystal Structure Protein Q88CH6 from Pseudomonas putida. Northeast Structural Genomics Consortium Target PpR72. | | Descriptor: | SULFATE ION, hypothetical protein PP5205 | | Authors: | Kuzin, A.P, Chen, Y, Abashidze, M, Acton, T, Conover, K, Janjua, H, Ma, L.-C, Ho, C.K, Cunningham, K, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-02-16 | | Release date: | 2006-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
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5L0T
 | | human POGLUT1 in complex with EGF(+) and UDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2021-03-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
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2YC3
 | | Inhibitors of the herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
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7LRK
 | | Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-02-16 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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7LP0
 | | Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077 | | Descriptor: | 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-02-11 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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7LRO
 | | Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105 | | Descriptor: | 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-02-17 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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7LPK
 | | Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-02-12 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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2GGA
 | | CP4 EPSP synthase liganded with S3P and Glyphosate | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Funke, T. | | Deposit date: | 2006-03-23 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GGD
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2GG6
 | | CP4 EPSP synthase liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, SHIKIMATE-3-PHOSPHATE, SULFATE ION | | Authors: | Schonbrunn, E, Funke, T. | | Deposit date: | 2006-03-23 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GG4
 | | CP4 EPSP synthase (unliganded) | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase | | Authors: | Schonbrunn, E, Funke, T. | | Deposit date: | 2006-03-23 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2YC5
 | | Inhibitors of the herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2YCM
 | | Inhibitors of herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-16 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
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8JNW
 | | PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
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8JNV
 | | PfDXR - Mn2+ - MAMK89 ternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-06 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
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