4A4O
 
 | | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR | | Descriptor: | 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | | Authors: | Bertrand, J.A, Bossi, R.T. | | Deposit date: | 2011-10-18 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3PXZ
 | | CDK2 ternary complex with JWS648 and ANS | | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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401D
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405D
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480D
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4BLC
 | | THE STRUCTURE OF ORTHORHOMBIC CRYSTALS OF BEEF LIVER CATALASE | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (CATALASE), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ko, T.P, Day, J, Malkin, A, McPherson, A. | | Deposit date: | 1998-09-27 | | Release date: | 1998-10-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of orthorhombic crystals of beef liver catalase.
Acta Crystallogr.,Sect.D, 55, 1999
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4BU4
 | | RIBONUCLEASE T1 COMPLEX WITH 2'GMP | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | | Authors: | Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J. | | Deposit date: | 1998-09-14 | | Release date: | 1998-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
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3PY1
 | | CDK2 ternary complex with SU9516 and ANS | | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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3QQF
 | | CDK2 in complex with inhibitor L1 | | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3QL8
 | | CDK2 in complex with inhibitor JWS-6-260 | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-02 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3QQJ
 | | CDK2 in complex with inhibitor L2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, Cyclin-dependent kinase 2, ... | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3QWK
 | | CDK2 in complex with inhibitor KVR-1-150 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3QQG
 | | CDK2 in complex with inhibitor L2-5 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, Cyclin-dependent kinase 2, ... | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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4GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME | | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1997-02-12 | | Release date: | 1997-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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4GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | | Authors: | Oakley, A, Rossjohn, J, Parker, M. | | Deposit date: | 1997-01-20 | | Release date: | 1998-01-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme.
Biochemistry, 36, 1997
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4HB1
 | | A DESIGNED FOUR HELIX BUNDLE PROTEIN. | | Descriptor: | DHP1, UNKNOWN ATOM OR ION | | Authors: | Schafmeister, C.E, Laporte, S.L, Miercke, L.J.W, Stroud, R.M. | | Deposit date: | 1997-11-10 | | Release date: | 1998-03-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A designed four helix bundle protein with native-like structure.
Nat.Struct.Biol., 4, 1997
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4HHM
 | | Crystal structure of a mutant, G219A, of Glucose Isomerase from Streptomyces sp. SK | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase | | Authors: | Ben Hlima, H, Riguet, J, Haser, R, Aghajari, N. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of critical residues for the activity and thermostability of Streptomyces sp. SK glucose isomerase.
Appl.Microbiol.Biotechnol., 97, 2013
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3EE5
 | | Crystal structure of human M340H-Beta1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in complex with GLCNAC-Beta1,3-Gal-Beta-Naphthalenemethanol | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ... | | Authors: | Ramakrishnan, B, Qasba, P.K. | | Deposit date: | 2008-09-04 | | Release date: | 2009-01-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Deoxygenated Disaccharide Analogs as Specific Inhibitors of {beta}1-4-Galactosyltransferase 1 and Selectin-mediated Tumor Metastasis
J.Biol.Chem., 284, 2009
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4HOH
 | | RIBONUCLEASE T1 (THR93ALA MUTANT) COMPLEXED WITH 2'GMP | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | | Authors: | Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J. | | Deposit date: | 1998-09-14 | | Release date: | 1998-09-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Dissection of the structural and functional role of a conserved hydration site in RNase T1.
Protein Sci., 8, 1999
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6TV5
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4HMG
 | | REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... | | Authors: | Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C. | | Deposit date: | 1989-09-11 | | Release date: | 1991-01-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Refinement of the influenza virus hemagglutinin by simulated annealing.
J.Mol.Biol., 212, 1990
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4HRQ
 | | Identification of Function and Mechanistic Insights of Guanine Deaminase from Nitrosomonas europaea: Role of the C-terminal Loop in Catalysis | | Descriptor: | 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION | | Authors: | Anand, R, Bitra, A, Bhukya, H, Tanwar, A.S. | | Deposit date: | 2012-10-28 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of function and mechanistic insights of guanine deaminase from Nitrosomonas europaea: role of the C-terminal loop in catalysis
Biochemistry, 52, 2013
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4HNR
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2WBC
 | | REFINED CRYSTAL STRUCTURE (2.3 ANGSTROM) OF A WINGED BEAN CHYMOTRYPSIN INHIBITOR AND LOCATION OF ITS SECOND REACTIVE SITE | | Descriptor: | CHYMOTRYPSIN INHIBITOR | | Authors: | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Mukhopadhyay, D, Dutta, S.K, Singh, M. | | Deposit date: | 1997-11-26 | | Release date: | 1998-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site.
Proteins, 35, 1999
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4HIV
 | | Structure of actinomycin D d(ATGCGGCAT) complex | | Descriptor: | ACTINOMYCIN D, DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*AP*T)-3') | | Authors: | Lo, Y.S, Tseng, W.H, Hou, M.H. | | Deposit date: | 2012-10-12 | | Release date: | 2013-05-08 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural basis of actinomycin D-binding induces nucleotide flipping out, a sharp bend and a left-handed twist in CGG triplet repeats.
Nucleic Acids Res., 41, 2013
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