3KMG
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3STR
| Strep Peptide Deformylase with a time dependent thiazolidine hydroxamic acid | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-11 | Release date: | 2011-07-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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3SW8
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3SVJ
| Strep Peptide Deformylase with a time dependent thiazolidine amide | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-12 | Release date: | 2011-07-27 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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5HFU
| Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine | Descriptor: | Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | Deposit date: | 2016-01-07 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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4JLQ
| Crystal structure of human Karyopherin-beta2 bound to the PY-NLS of Saccharomyces cerevisiae NAB2 | Descriptor: | Nuclear polyadenylated RNA-binding protein NAB2, Transportin-1 | Authors: | Sampathkumar, P, Gizzi, A, Rout, M.P, Chook, Y.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals) | Deposit date: | 2013-03-12 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of human Karyopherin beta 2 bound to the PY-NLS of Saccharomyces cerevisiae Nab2. J.Struct.Funct.Genom., 14, 2013
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5HEX
| Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine | Descriptor: | 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2 | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | Deposit date: | 2016-01-06 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HG1
| Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine | Descriptor: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ... | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | Deposit date: | 2016-01-07 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HX6
| Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | Descriptor: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors. J.Med.Chem., 59, 2016
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4PMH
| The structure of rice weevil pectin methyl esterase | Descriptor: | Pectinesterase | Authors: | Stenkamp, R.E, Teller, D.C, Behnke, C.A, Reeck, G.R. | Deposit date: | 2014-05-21 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The structure of rice weevil pectin methylesterase. Acta Crystallogr.,Sect.F, 70, 2014
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4M7I
| Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Gampe, R.T, Axten, J.M. | Deposit date: | 2013-08-12 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development To be Published
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4IJH
| Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | Descriptor: | 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | Deposit date: | 2012-12-21 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A. ACS MED.CHEM.LETT., 4, 2013
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2BC3
| T7-tagged full-length streptavidin | Descriptor: | GLYCEROL, SULFATE ION, Streptavidin | Authors: | Stenkamp, R.E, Le Trong, I, Ward, T.R, Humbert, N. | Deposit date: | 2005-10-18 | Release date: | 2005-10-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystallographic Analysis of a Full-length Streptavidin with Its C-terminal Polypeptide Bound in the Biotin Binding Site. J.Mol.Biol., 356, 2006
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4IJL
| Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | Deposit date: | 2012-12-21 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A. ACS MED.CHEM.LETT., 4, 2013
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4NB3
| Crystal structure of RPA70N in complex with a 3,4 dichlorophenylalanine ATRIP derived peptide | Descriptor: | 3,4 dichlorophenylalanine ATRIP derived peptide, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Souza-Fagundes, E.M, Luzwik, J.W, Cortez, D, Olejniczak, O.T, Waterson, A.G, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-10-22 | Release date: | 2014-02-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery of a Potent Stapled Helix Peptide That Binds to the 70N Domain of Replication Protein A. J.Med.Chem., 57, 2014
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3NYU
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2I35
| Crystal structure of rhombohedral crystal form of ground-state rhodopsin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ... | Authors: | Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K. | Deposit date: | 2006-08-17 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I36
| Crystal structure of trigonal crystal form of ground-state rhodopsin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, Rhodopsin, ... | Authors: | Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K. | Deposit date: | 2006-08-17 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1BCX
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3NYT
| X-ray crystal structure of the WlbE (WpbE) aminotransferase from pseudomonas aeruginosa, mutation K185A, in complex with the PLP external aldimine adduct with UDP-3-amino-2-N-acetyl-glucuronic acid, at 1.3 angstrom resolution | Descriptor: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), Aminotransferase WbpE, SODIUM ION | Authors: | Holden, H.M, Thoden, J.B. | Deposit date: | 2010-07-15 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase. Protein Sci., 26, 2017
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3NYS
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1L0G
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1LL5
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1L0D
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1L0F
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