1PXP
 
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1IHG
 | | Bovine Cyclophilin 40, monoclinic form | | Descriptor: | Cyclophilin 40, GLYCEROL | | Authors: | Taylor, P, Dornan, J, Carrello, A, Minchin, R.F, Ratajczak, T, Walkinshaw, M.D. | | Deposit date: | 2001-04-19 | | Release date: | 2001-05-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Two structures of cyclophilin 40: folding and fidelity in the TPR domains.
Structure, 9, 2001
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1IJ9
 | | Highly Hydrated Human VCAM-1 Fragment | | Descriptor: | VASCULAR CELL ADHESION PROTEIN 1 | | Authors: | Taylor, P, Bilsland, M, Walkinshaw, M.D. | | Deposit date: | 2001-04-25 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A new conformation of the integrin-binding fragment of human VCAM-1 crystallizes in a highly hydrated packing arrangement.
Acta Crystallogr.,Sect.D, 57, 2001
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1P2H
 | | H61M mutant of flavocytochrome c3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALATE LIKE INTERMEDIATE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Rothery, E.L, Mowat, C.G, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2003-04-15 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Histidine 61: An Important Heme Ligand in the Soluble Fumarate Reductase from Shewanella
frigidimarina
Biochemistry, 42, 2003
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1P2E
 | | H61A mutant of flavocytochrome c3 | | Descriptor: | ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, ... | | Authors: | Rothery, E.L, Mowat, C.G, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2003-04-15 | | Release date: | 2003-11-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Histidine 61: An Important Heme Ligand in the Soluble Fumarate Reductase from Shewanella frigidimarina
Biochemistry, 42, 2003
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1Q9I
 | | The A251C:S430C double mutant of flavocytochrome c3 from Shewanella frigidimarina | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEME C, MALATE LIKE INTERMEDIATE, ... | | Authors: | Rothery, E.L, Mowat, C.G, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2003-08-25 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing Domain Mobility in a Flavocytochrome
Biochemistry, 42, 2004
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1D7H
 | | FKBP COMPLEXED WITH DMSO | | Descriptor: | AMMONIUM ION, DIMETHYL SULFOXIDE, 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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1E3B
 | | CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3 | | Descriptor: | CYCLOPHILIN 3, GOLD ION, TRIETHYLPHOSPHANE | | Authors: | Zou, J, Taylor, P, Dornan, J, Robinson, S.P, Walkinshaw, M.D, Sadler, P.J. | | Deposit date: | 2000-06-08 | | Release date: | 2000-10-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | First Crystal Structure of a Medicinally Relevant Gold Protein Complex:Unexpected Binding of [Au(Pet (3))](+) to Histidine
Angew.Chem.Int.Ed.Engl., 39, 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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1CWK
 | | HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-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: | 1998-05-26 | | 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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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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1CTX
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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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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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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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1CWF
 | | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN | | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | | Deposit date: | 1998-04-30 | | Release date: | 1998-07-15 | | Last modified: | 2024-06-05 | | 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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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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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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1H0P
 | | Cyclophilin_5 from C. elegans | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 5 | | Authors: | Picken, N.C, Eschenlauer, S, Taylor, P, Page, A.P, Walkinshaw, M.D. | | Deposit date: | 2002-06-26 | | Release date: | 2002-09-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Biological Characterisation of the Gut-Associated Cyclophilin B Isoforms from Caenorhabditis Elegans
J.Mol.Biol., 322, 2002
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1N4G
 | | Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole | | Descriptor: | 4-IODOPYRAZOLE, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-10-31 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
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1P0V
 | | F393A mutant heme domain of flavocytochrome P450 BM3 | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | | Deposit date: | 2003-04-11 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3
J.Am.Chem.Soc., 125, 2003
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1P0W
 | | F393W mutant heme domain of flavocytochrome P450 BM3 | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | | Deposit date: | 2003-04-11 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3
J.Am.Chem.Soc., 125, 2003
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1P0X
 | | F393Y mutant heme domain of flavocytochrome P450 BM3 | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | | Deposit date: | 2003-04-11 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3
J.Am.Chem.Soc., 125, 2003
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1PXJ
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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1N40
 | | Atomic structure of CYP121, a mycobacterial P450 | | Descriptor: | Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-10-30 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
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