4JMV
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4JN0
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4JMS
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4JQN
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![BU of 4jqn by Molmil](/molmil-images/mine/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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4JMT
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4JPU
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![BU of 4jpu by Molmil](/molmil-images/mine/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
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![BU of 4jqm by Molmil](/molmil-images/mine/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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1A9C
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![BU of 1a9c by Molmil](/molmil-images/mine/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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1A8R
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![BU of 1a8r by Molmil](/molmil-images/mine/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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7RWN
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![BU of 7rwn by Molmil](/molmil-images/mine/7rwn) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | 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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7RWP
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![BU of 7rwp by Molmil](/molmil-images/mine/7rwp) | Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | Descriptor: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 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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7RWQ
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![BU of 7rwq by Molmil](/molmil-images/mine/7rwq) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | Descriptor: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 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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7RWO
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![BU of 7rwo by Molmil](/molmil-images/mine/7rwo) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 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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6WWB
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![BU of 6wwb by Molmil](/molmil-images/mine/6wwb) | Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b | Descriptor: | 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2 | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-08 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
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8JNV
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![BU of 8jnv by Molmil](/molmil-images/mine/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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8JNW
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![BU of 8jnw by Molmil](/molmil-images/mine/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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7ZAL
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5UB5
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![BU of 5ub5 by Molmil](/molmil-images/mine/5ub5) | human POGLUT1 in complex with human Notch1 EGF12 S458T mutant and UDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-12-20 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.089 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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1OAA
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![BU of 1oaa by Molmil](/molmil-images/mine/1oaa) | MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1997-08-25 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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2EVE
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![BU of 2eve by Molmil](/molmil-images/mine/2eve) | X-Ray Crystal Structure of Protein PSPTO5229 from Pseudomonas syringae. Northeast Structural Genomics Consortium Target PsR62 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ... | Authors: | Forouhar, F, Zhou, W, Belachew, A, Jayaraman, S, Ciao, M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-31 | Release date: | 2005-11-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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2G2X
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![BU of 2g2x by Molmil](/molmil-images/mine/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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2GBS
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![BU of 2gbs by Molmil](/molmil-images/mine/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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3R3J
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![BU of 3r3j by Molmil](/molmil-images/mine/3r3j) | Kinetic and structural characterization of Plasmodium falciparum glutamate dehydrogenase 2 | Descriptor: | Glutamate dehydrogenase | Authors: | Zocher, K, Fritz-Wolf, K, Kehr, S, Rahlfs, S, Becker, K. | Deposit date: | 2011-03-16 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Biochemical and structural characterization of Plasmodium falciparum glutamate dehydrogenase 2. Mol.Biochem.Parasitol., 183, 2012
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2JZ5
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![BU of 2jz5 by Molmil](/molmil-images/mine/2jz5) | NMR solution structure of protein VPA0419 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR68 | Descriptor: | Uncharacterized protein VPA0419 | Authors: | Singarapu, K.K, Sukumaran, D.K, Eletski, A, Parish, D, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-12-28 | Release date: | 2008-02-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175. Proteins, 78, 2010
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2YCM
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![BU of 2ycm by Molmil](/molmil-images/mine/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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