1CG2
| CARBOXYPEPTIDASE G2 | Descriptor: | CARBOXYPEPTIDASE G2, ZINC ION | Authors: | Rowsell, S, Pauptit, R.A, Tucker, A.D, Melton, R.G, Blow, D.M, Brick, P. | Deposit date: | 1996-12-20 | Release date: | 1997-12-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of carboxypeptidase G2, a bacterial enzyme with applications in cancer therapy. Structure, 5, 1997
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1IFT
| RICIN A-CHAIN (RECOMBINANT) | Descriptor: | RICIN | Authors: | Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A. | Deposit date: | 1996-07-05 | Release date: | 1998-01-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of recombinant ricin A-chain at 1.8 A resolution. J.Mol.Biol., 244, 1994
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1IFS
| RICIN A-CHAIN (RECOMBINANT) COMPLEX WITH ADENOSINE (ADENOSINE BECOMES ADENINE IN THE COMPLEX) | Descriptor: | ADENINE, RICIN | Authors: | Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A. | Deposit date: | 1996-07-05 | Release date: | 1998-01-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of recombinant ricin A-chain at 1.8 A resolution. J.Mol.Biol., 244, 1994
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1IFU
| RICIN A-CHAIN (RECOMBINANT) COMPLEX WITH FORMYCIN | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, RICIN | Authors: | Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A. | Deposit date: | 1996-07-05 | Release date: | 1998-01-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure of recombinant ricin A-chain at 1.8 A resolution. J.Mol.Biol., 244, 1994
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1QG6
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1D7O
| CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN | Descriptor: | ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W. | Deposit date: | 1999-10-19 | Release date: | 1999-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of triclosan bound to enoyl reductase. J.Mol.Biol., 294, 1999
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1GKC
| MMP9-inhibitor complex | Descriptor: | 92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ... | Authors: | Rowsell, S, Pauptit, R.A. | Deposit date: | 2001-08-10 | Release date: | 2002-05-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor J.Mol.Biol., 319, 2002
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1GKD
| MMP9 active site mutant-inhibitor complex | Descriptor: | 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, 92 KDA TYPE IV COLLAGENASE, ... | Authors: | Rowsell, S, Pauptit, R.A. | Deposit date: | 2001-08-10 | Release date: | 2002-05-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor J.Mol.Biol., 319, 2002
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1H08
| CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-11 | Release date: | 2003-07-11 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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1H01
| CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-10 | Release date: | 2003-07-11 | Last modified: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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1H07
| CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-11 | Release date: | 2003-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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2OMF
| OMPF PORIN | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Cowan, S.W. | Deposit date: | 1995-02-28 | Release date: | 1995-12-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Refined Structure of Ompf Porin from E.Coli at 2.4 Angstroms Resolution To be Published
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1BT9
| OMPF PORIN MUTANT D74A | Descriptor: | PROTEIN (MATRIX PORIN OUTER MEMBRANE PROTEIN F) | Authors: | Philippsen, A, Schirmer, T. | Deposit date: | 1998-09-01 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stability of trimeric OmpF porin: the contributions of the latching loop L2. Biochemistry, 37, 1998
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1PHO
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2W06
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | Descriptor: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Byth, K.F, Culshaw, J.D, Finlay, M.R.V, Fisher, E, Mcmiken, H.H.J, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-09-23 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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2H8H
| Src kinase in complex with a quinazoline inhibitor | Descriptor: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J. | Deposit date: | 2006-06-07 | Release date: | 2006-11-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. J.Med.Chem., 49, 2006
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2DKB
| DIALKYLGLYCINE DECARBOXYLASE STRUCTURE: BIFUNCTIONAL ACTIVE SITE AND ALKALI METAL BINDING SITES | Descriptor: | 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Toney, M.D, Hohenester, E, Jansonius, J.N. | Deposit date: | 1994-07-12 | Release date: | 1994-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dialkylglycine decarboxylase structure: bifunctional active site and alkali metal sites. Science, 261, 1993
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1PXT
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1ESP
| NEUTRAL PROTEASE MUTANT E144S | Descriptor: | CALCIUM ION, NEUTRAL PROTEASE MUTANT E144S, ZINC ION | Authors: | Litster, S.A, Wetmore, D.R, Roche, R.S, Codding, P.W. | Deposit date: | 1995-08-11 | Release date: | 1995-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | E144S active-site mutant of the Bacillus cereus thermolysin-like neutral protease at 2.8 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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1GFM
| OMPF PORIN (MUTANT D113G) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFN
| OMPF PORIN DELETION (MUTANT DELTA 109-114) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFO
| OMPF PORIN (MUTANT R132P) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFQ
| OMPF PORIN (MUTANT R82C) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1MPF
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1D7S
| CRYSTAL STRUCTURE OF THE COMPLEX OF 2,2-DIALKYLGLYCINE DECARBOXYLASE WITH DCS | Descriptor: | D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), ... | Authors: | Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N. | Deposit date: | 1999-10-19 | Release date: | 1999-11-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of dialkylglycine decarboxylase inhibitor complexes. J.Mol.Biol., 294, 1999
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