1D7J
| FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE | Descriptor: | 4-HYDROXY-2-BUTANONE, AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1D7I
| FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) | Descriptor: | AMMONIUM ION, METHYL METHYLSULFINYLMETHYL SULFIDE, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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2A0C
| Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | Descriptor: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2 | Authors: | Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M. | Deposit date: | 2005-06-16 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor Cell.Mol.Life Sci., 62, 2005
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1VYJ
| Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.D. | Deposit date: | 2004-04-30 | Release date: | 2005-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
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1JME
| Crystal Structure of Phe393His Cytochrome P450 BM3 | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Munro, A.W, Mowat, C.G, Pesseguiero, A, Fulco, A.J, Cho, A.K, Cheesman, M.A, Walkinshaw, M.D, Chapman, S.K. | Deposit date: | 2001-07-18 | Release date: | 2001-11-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and spectroscopic analysis of the F393H mutant of flavocytochrome P450 BM3. Biochemistry, 40, 2001
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1YIK
| Structure of Hen egg white lysozyme soaked with Cu-cyclam | Descriptor: | 1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II), ACETATE ION, CHLORIDE ION, ... | Authors: | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2005-01-12 | Release date: | 2005-02-08 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme Proc.Natl.Acad.Sci.Usa, 102, 2005
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1YIL
| Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam | Descriptor: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ... | Authors: | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2005-01-12 | Release date: | 2005-02-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme Proc.Natl.Acad.Sci.Usa, 102, 2005
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2B7R
| Structure of E378D mutant flavocytochrome c3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ... | Authors: | Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2005-10-05 | Release date: | 2006-05-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina. J.Biol.Chem., 281, 2006
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1YQP
| T268N mutant cytochrome domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Clark, J.P, Miles, C.S, Mowat, C.G, Walkinshaw, M.D, Reid, G.A, Daff, S.N, Chapman, S.K. | Deposit date: | 2005-02-02 | Release date: | 2006-01-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of Thr268 and Phe393 in cytochrome P450 BM3. J.Inorg.Biochem., 100, 2006
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1YQO
| T268A mutant heme domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Clark, J.P, Miles, C.S, Mowat, C.G, Walkinshaw, M.D, Reid, G.A, Daff, S.N, Chapman, S.K. | Deposit date: | 2005-02-02 | Release date: | 2006-01-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The role of Thr268 and Phe393 in cytochrome P450 BM3. J.Inorg.Biochem., 100, 2006
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1T3P
| Half-sandwich arene ruthenium(II)-enzyme complex | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | McNae, I.W, Fishburne, K, Habtemariam, A, Hunter, T.M, Melchart, M, Wang, F, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2004-04-27 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Half-sandwich arene ruthenium(II)-enzyme complex CHEM.COMMUN.(CAMB.), 16, 2004
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1SZE
| L230A mutant flavocytochrome b2 with benzoylformate | Descriptor: | BENZOYL-FORMIC ACID, Cytochrome b2, mitochondrial, ... | Authors: | Mowat, C.G, Wehenkel, A, Green, A.J, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2004-04-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation Biochemistry, 43, 2004
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2B7S
| R381K mutant of flavocytochrome c3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ... | Authors: | Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2005-10-05 | Release date: | 2006-05-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina. J.Biol.Chem., 281, 2006
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2C5X
| Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | Authors: | Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-11-03 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
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2C5V
| Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-11-02 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
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2C5N
| Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-10-30 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
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1JI3
| CRYSTAL STRUCTURE OF THE FIRST THERMOSTABLE BACTERIAL LIPASE FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | CALCIUM ION, ZINC ION, lipase | Authors: | Tyndall, J.D.A, Sinchaikul, S, Fothergill-Gilmore, L.A, Taylor, P, Walkinshaw, M.D. | Deposit date: | 2001-06-29 | Release date: | 2002-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Thermostable Lipase from Bacillus stearothermophilus P1 J.Mol.Biol., 323, 2002
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1CWH
| HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-07 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWM
| HUMAN CYCLOPHILIN A COMPLEXED WITH 4 MEILE CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWI
| HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-25 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWL
| HUMAN CYCLOPHILIN A COMPLEXED WITH 4 4-HYDROXY-MELEU CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1OL1
| Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-08-04 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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1CWO
| HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-06-05 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A. J.Mol.Biol., 283, 1998
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1OKW
| Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | Descriptor: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-07-31 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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1CWJ
| HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-25 | Release date: | 1998-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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