1J3I
 
 | | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
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1J3K
 | | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
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1J3J
 | | Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
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1KSU
 | | Crystal Structure of His505Tyr Mutant Flavocytochrome c3 from Shewanella frigidimarina | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Pankhurst, K.L, Mowat, C.G, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2002-01-14 | | Release date: | 2002-08-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of His505 in the soluble fumarate reductase from Shewanella frigidimarina.
Biochemistry, 41, 2002
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3E0W
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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
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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
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1CWA
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1CWB
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2F7T
 | | Crystal structure of the catalytic domain of Mos1 mariner transposase | | Descriptor: | MAGNESIUM ION, Mos1 transposase | | Authors: | Richardson, J.M, Dawson, A, Taylor, P, Finnegan, D.J, Walkinshaw, M.D. | | Deposit date: | 2005-12-01 | | Release date: | 2006-03-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanism of Mos1 transposition: insights from structural analysis
Embo J., 25, 2006
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6GS6
 | | Cyclophilin A single mutant D66A in complex with an inhibitor. | | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | Authors: | Georgiou, C, De Simone, A, Juarez-Jimenez, J, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-06-13 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Chem Sci, 2020
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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: | 2023-11-15 | | 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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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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1W8V
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1W8M
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3KTX
 | | Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid | | Descriptor: | GLYCEROL, Pyruvate kinase, pyrene-1,3,6,8-tetrasulfonic acid | | Authors: | Morgan, H.P, Walkinshaw, M.D. | | Deposit date: | 2009-11-26 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase.
Acta Crystallogr.,Sect.F, 66, 2010
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1KSS
 | | Crystal Structure of His505Ala Mutant Flavocytochrome c3 from Shewanella frigidimarina | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Pankhurst, K.L, Mowat, C.G, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2002-01-14 | | Release date: | 2002-08-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of His505 in the soluble fumarate reductase from Shewanella frigidimarina.
Biochemistry, 41, 2002
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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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1E39
 | | Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT, FUMARIC ACID, ... | | Authors: | Doherty, M.K, Pealing, S.L, Miles, C.S, Moysey, R, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2000-06-07 | | Release date: | 2000-09-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of the Active Site Acid/Base Catalyst in a Bacterial Fumarate Reductase: A Kinetic and Crystallographic Study
Biochemistry, 39, 2000
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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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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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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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1PXK
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | | 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 (2.8 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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