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
|
|
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
|
|
1W8V
 | |
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
|
|
1W60
 | | NATIVE HUMAN PCNA | | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN | | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M. | | Deposit date: | 2004-08-11 | | Release date: | 2005-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.15 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
|
|
1OKV
 | | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2 | | 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: | 2003-07-30 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
|
|
1W8L
 | |
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
|
|
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
|
|
1VYM
 | | NATIVE HUMAN PCNA | | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN | | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M. | | Deposit date: | 2004-05-03 | | Release date: | 2005-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 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
|
|
1PXN
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | 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 (2.5 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
|
|
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
|
|
1W8M
 | |
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
|
|
1SZG
 | | A198G:L230A flavocytochrome b2 with sulfite bound | | Descriptor: | Cytochrome b2, mitochondrial, N-SULFO-FLAVIN MONONUCLEOTIDE | | 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 (2.7 Å) | | Cite: | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation
Biochemistry, 43, 2004
|
|
1SZF
 | | A198G:L230A mutant flavocytochrome b2 with pyruvate bound | | Descriptor: | Cytochrome b2, mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | 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: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation
Biochemistry, 43, 2004
|
|
1PXO
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | | Descriptor: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | | 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 (1.96 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
|
|
1PXM
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, 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 (2.53 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
|
|
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
|
|
1OL2
 | | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 | | Descriptor: | ARG-ARG-LEU-ASN-PFF-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: | 2003-08-05 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
|
|
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
|
|
2BLC
 | | SP21 double mutant P. vivax Dihydrofolate reductase in complex with des-chloropyrimethamine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, ... | | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | | Deposit date: | 2005-03-03 | | Release date: | 2005-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
2BL9
 | | X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative | | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | | Deposit date: | 2005-03-02 | | Release date: | 2005-09-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
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
|
|
1PW2
 | | APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2 | | Descriptor: | 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: | 2003-06-30 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 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
|
|
