4B95
 
 | | pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound | | Descriptor: | (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha
Angew.Chem.Int.Ed.Engl., 51, 2012
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2R4R
 | | Crystal structure of the human beta2 adrenoceptor | | Descriptor: | Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ... | | Authors: | Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K. | | Deposit date: | 2007-08-31 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.
Nature, 450, 2007
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4BP2
 | | CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R. | | Deposit date: | 1990-09-07 | | Release date: | 1991-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
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4C16
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist | | Descriptor: | (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | | Deposit date: | 2013-08-09 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
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4C34
 | | PKA-S6K1 Chimera with Staurosporine bound | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, GLYCEROL, ... | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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1IDB
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4C33
 | | PKA-S6K1 Chimera Apo | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4C35
 | | PKA-S6K1 Chimera with compound 1 (NU1085) bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4A6Z
 | | Cytochrome c peroxidase with bound guaiacol | | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, Guaiacol, ... | | Authors: | Murphy, E.J, Metcalfe, C.L, Nnamchi, C, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2011-11-10 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012
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4A7M
 | | cytochrome c peroxidase S81W mutant | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | | Authors: | Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2011-11-14 | | Release date: | 2012-11-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012
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2RCV
 | | Crystal structure of the Bacillus subtilis superoxide dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn] | | Authors: | Liu, P, Ewis, H.E, Huang, Y.J, Lu, C.D, Tai, P.C, Weber, I.T. | | Deposit date: | 2007-09-20 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Bacillus subtilis superoxide dismutase.
Acta Crystallogr.,Sect.F, 63, 2007
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4AMI
 | | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol | | Descriptor: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10 | | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | | Deposit date: | 2012-03-11 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
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2REA
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4B9K
 | | pVHL-ELOB-ELOC complex_(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide bound | | Descriptor: | (2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | | Deposit date: | 2012-09-05 | | Release date: | 2012-10-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1 Alpha
Angew.Chem.Int.Ed.Engl., 51, 2012
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1J4G
 | | crystal structure analysis of the trichosanthin delta C7 | | Descriptor: | CALCIUM ION, Trichosanthin delta C7 | | Authors: | Ding, Y, Too, H.M, Wang, Z.L, Liu, Y.W, Dong, Y.C, Shaw, P.C, Rao, Z.H. | | Deposit date: | 2001-09-30 | | Release date: | 2001-10-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | crystal structure analysis of the trichosanthin delta C7
To be Published
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4BVN
 | | Ultra-thermostable beta1-adrenoceptor with cyanopindolol bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, ... | | Authors: | Miller, J, Nehme, R, Warne, T, Edwards, P.C, Leslie, A.G.W, Schertler, G, Tate, C.G. | | Deposit date: | 2013-06-26 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1 A Resolution Structure of Cyanopindolol-Bound Beta1- Adrenoceptor Identifies an Intramembrane Na+ Ion that Stabilises the Ligand-Free Receptor.
Plos One, 9, 2014
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2RED
 | | Crystal structures of C2ALPHA-PI3 kinase PX-domain domain indicate conformational change associated with ligand binding. | | Descriptor: | GLYCEROL, Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing alpha polypeptide | | Authors: | Parkinson, G.N, Vines, D, Driscoll, P.C, Djordjevic, S. | | Deposit date: | 2007-09-26 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of PI3K-C2alpha PX domain indicate conformational change associated with ligand binding
Bmc Struct.Biol., 8, 2008
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5U99
 | | Transition state analysis of adenosine triphosphate phosphoribosyltransferase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, MAGNESIUM ION, ... | | Authors: | Moggre, G.-J, Poulin, M.B, Tyler, P.C, Schramm, V.L, Parker, E.J. | | Deposit date: | 2016-12-15 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Transition State Analysis of Adenosine Triphosphate Phosphoribosyltransferase.
ACS Chem. Biol., 12, 2017
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1IY9
 | | Crystal structure of spermidine synthase | | Descriptor: | Spermidine synthase | | Authors: | Tan, A.Y, Smith, P.C, Shen, J, Xiao, R, Acton, T, Rost, B, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-07-26 | | Release date: | 2002-10-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of spermidine synthase
To be Published
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4AMJ
 | | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol | | Descriptor: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ... | | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | | Deposit date: | 2012-03-12 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
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4A7W
 | | Crystal structure of uridylate kinase from Helicobacter pylori | | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, URIDYLATE KINASE | | Authors: | Chu, C.H, Chen, P.C, Liu, M.H, Sun, Y.J. | | Deposit date: | 2011-11-15 | | Release date: | 2012-06-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of Helicobacter Pylori Uridylate Kinase: Insight Into Release of the Product Udp
Acta Crystallogr.,Sect.D, 68, 2012
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5SX3
 | | Crystal structure of the catalase-peroxidase KatG of B. pseudomaallei at pH 4.5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-09 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes.
Biochemistry, 45, 2006
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5SYK
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2TCI
 | | X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL | | Descriptor: | THIOCYANATE INSULIN, THIOCYANATE ION, ZINC ION | | Authors: | Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G. | | Deposit date: | 1995-09-13 | | Release date: | 1996-01-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
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2UWH
 | | Cytochrome P450 BM3 mutant in complex with palmitic acid | | Descriptor: | BIFUNCTIONAL P-450: NADPH-P450 REDUCTASE, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Huang, W.-C, Joyce, M.G, Westlake, A.C.G, Roberts, G.C.K, Moody, P.C.E. | | Deposit date: | 2007-03-21 | | Release date: | 2007-08-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Filling a Hole in Cytochrome P450 Bm3 Improves Substrate Binding and Catalytic Efficiency.
J.Mol.Biol., 373, 2007
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