2LQT
 
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5ORZ
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5OSE
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-17 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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7VPW
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4TMR
 | | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate . | | Descriptor: | CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | | Deposit date: | 2014-06-02 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
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2QFQ
 | | E. coli EPSP synthase Pro101Leu liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Healy-Fried, M.L. | | Deposit date: | 2007-06-27 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
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7YC2
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1BI9
 | | RETINAL DEHYDROGENASE TYPE TWO WITH NAD BOUND | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RETINAL DEHYDROGENASE TYPE II | | Authors: | Newcomer, M.E, Lamb, A.L. | | Deposit date: | 1998-06-23 | | Release date: | 1999-07-22 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of retinal dehydrogenase type II at 2.7 A resolution: implications for retinal specificity.
Biochemistry, 38, 1999
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1B7V
 | | Structure of the C-553 cytochrome from Bacillus pasteruii to 1.7 A resolution | | Descriptor: | HEME C, PROTEIN (CYTOCHROME C-553) | | Authors: | Gonzalez, A, Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S. | | Deposit date: | 1999-01-22 | | Release date: | 2000-03-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
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1E5B
 | | Internal xylan binding domain from C. fimi Xyn10A, R262G mutant | | Descriptor: | XYLANASE D | | Authors: | Simpson, P.J, Hefang, X, Bolam, D.N, Gilbert, H.J, Williamson, M.P. | | Deposit date: | 2000-07-24 | | Release date: | 2001-05-25 | | Last modified: | 2018-10-24 | | Method: | SOLUTION NMR | | Cite: | The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate Binding Nodules
J.Biol.Chem., 275, 2000
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2Q6J
 | | Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand | | Descriptor: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide | | Authors: | Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A. | | Deposit date: | 2007-06-05 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
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7KME
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1T0L
 | | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+) | | Descriptor: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | | Deposit date: | 2004-04-10 | | Release date: | 2004-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
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2Q98
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2XUB
 | | Human RPC62 subunit structure | | Descriptor: | DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC3 | | Authors: | Lefevre, S, Legrand, P, Fribourg, S. | | Deposit date: | 2010-10-18 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Function Analysis of Hrpc62 Provides Insights Into RNA Polymerase III Transcription
Nat.Struct.Mol.Biol., 18, 2011
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1A34
 | | SATELLITE TOBACCO MOSAIC VIRUS/RNA COMPLEX | | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), SATELLITE TOBACCO MOSAIC VIRUS, ... | | Authors: | Larson, S.B, Day, J, Greenwood, A.J, McPherson, A. | | Deposit date: | 1998-01-28 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Refined structure of satellite tobacco mosaic virus at 1.8 A resolution.
J.Mol.Biol., 277, 1998
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4J9L
 | | Human DNA polymerase eta-DNA ternary complex: misincorporation G opposite T after a C at the primer 3' end (CA/G) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA, DNA polymerase eta, ... | | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2013-02-16 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4J9O
 | | Human DNA polymerase eta-DNA ternary complex: primer extension after a T:G mispair | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*AP*CP*GP*TP*CP*AP*TP*G)-3'), ... | | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2013-02-16 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1RMT
 | | Crystal structure of AphA class B acid phosphatase/phosphotransferase complexed with adenosine. | | Descriptor: | ADENOSINE, Class B acid phosphatase, MAGNESIUM ION | | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | | Deposit date: | 2003-11-28 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
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1BGU
 | | CRYSTAL STRUCTURE OF THE DNA MODIFYING ENZYME BETA-GLUCOSYLTRANSFERASE IN THE PRESENCE AND ABSENCE OF THE SUBSTRATE URIDINE DIPHOSPHOGLUCOSE | | Descriptor: | BETA-GLUCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Vrielink, A, Rueger, W, Driessen, H.P.C, Freemont, P.S. | | Deposit date: | 1994-06-09 | | Release date: | 1994-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the DNA modifying enzyme beta-glucosyltransferase in the presence and absence of the substrate uridine diphosphoglucose.
EMBO J., 13, 1994
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1PPP
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1ICG
 | | STRUCTURE OF THE HYBRID RNA/DNA R-GCUUCGGC-D[F]U IN PRESENCE OF IR(NH3)6+++ | | Descriptor: | 5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(UFP))-3', CHLORIDE ION, IRIDIUM HEXAMMINE ION | | Authors: | Cruse, W, Saludjian, P, Neuman, A, Prange, T. | | Deposit date: | 2001-03-31 | | Release date: | 2001-04-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Destabilizing effect of a fluorouracil extra base in a hybrid RNA duplex compared with bromo and chloro analogues.
Acta Crystallogr.,Sect.D, 57, 2001
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5ORS
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5ORW
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5OS5
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 4-(4-hydroxyphenyl)sulfanylphenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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