4JN0
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![BU of 4jn0 by Molmil](/molmil-images/mine/4jn0) | |
4JMV
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![BU of 4jmv by Molmil](/molmil-images/mine/4jmv) | |
4JQJ
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![BU of 4jqj by Molmil](/molmil-images/mine/4jqj) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline | 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 (1.6 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JMB
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![BU of 4jmb by Molmil](/molmil-images/mine/4jmb) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ... | Authors: | Barelier, S, Fischer, M. | Deposit date: | 2013-03-13 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published
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4JMZ
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![BU of 4jmz by Molmil](/molmil-images/mine/4jmz) | |
4JPL
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![BU of 4jpl by Molmil](/molmil-images/mine/4jpl) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | Descriptor: | 1H-pyrrolo[3,2-b]pyridine, 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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4JQK
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![BU of 4jqk by Molmil](/molmil-images/mine/4jqk) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | Descriptor: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | 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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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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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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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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2GGA
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![BU of 2gga by Molmil](/molmil-images/mine/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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7ZAL
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![BU of 7zal by Molmil](/molmil-images/mine/7zal) | |
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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6YRP
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![BU of 6yrp by Molmil](/molmil-images/mine/6yrp) | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | Descriptor: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
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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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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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1ZCE
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![BU of 1zce by Molmil](/molmil-images/mine/1zce) | X-Ray Crystal Structure of Protein Atu2648 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR33. | Descriptor: | hypothetical protein Atu2648 | Authors: | Forouhar, F, Chen, Y, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-04-11 | Release date: | 2005-04-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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2K3I
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![BU of 2k3i by Molmil](/molmil-images/mine/2k3i) | Solution NMR structure of protein yiiS from Shigella flexneri. Northeast Structural Genomics Consortium target SfR90 | Descriptor: | Uncharacterized protein yiiS | Authors: | Mills, J.L, Singarapu, K.K, Eletsky, A, Sukumaran, D.K, Wang, D, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-05-08 | Release date: | 2008-07-08 | 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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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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5L0T
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![BU of 5l0t by Molmil](/molmil-images/mine/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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5L0U
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![BU of 5l0u by Molmil](/molmil-images/mine/5l0u) | human POGLUT1 in complex with EGF(+) and UDP-phosphono-glucose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EGF(+), ... | 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 (1.8 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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5L0V
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![BU of 5l0v by Molmil](/molmil-images/mine/5l0v) | human POGLUT1 in complex with 2F-glucose modified EGF(+) and UDP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-glucopyranose, ... | 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 (1.305 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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5L0S
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![BU of 5l0s by Molmil](/molmil-images/mine/5l0s) | human POGLUT1 in complex with Factor VII EGF1 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 (1.45 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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5L0R
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![BU of 5l0r by Molmil](/molmil-images/mine/5l0r) | human POGLUT1 in complex with Notch1 EGF12 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 (1.5 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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