Author results

1OKV
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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:2015-09-16
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
1OKW
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CYCLIN A BINDING GROOVE INHIBITOR AC-ARG-ARG-LEU-ASN-(M-CL-PHE)-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ACE-ARG-ARG-LEU-ASN-FCL-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:2003-07-31
Release date:2003-12-11
Last modified:2016-12-21
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
1OL1
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CYCLIN A BINDING GROOVE INHIBITOR H-CIT-CIT-LEU-ILE-(P-F-PHE)-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, CIR-CIR-LEU-ILE-PFF-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:2003-08-04
Release date:2003-12-11
Last modified:2017-02-15
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
1OL2
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CYCLIN A BINDING GROOVE INHIBITOR H-ARG-ARG-LEU-ASN-(P-F-PHE)-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ARG-ARG-LEU-ASN-PFF-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:2003-08-05
Release date:2003-12-11
Last modified:2017-02-08
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
1VYM
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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:2011-07-13
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
1W60
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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:2011-07-13
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
1W8L
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ENZYMATIC AND STRUCTURAL CHARACTERIZATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, (3R)-1-ACETYL-3-METHYLPIPERIDINE
Authors:Kontopidis, G., Taylor, P., Walkinshaw, M.
Deposit date:2004-09-23
Release date:2004-09-30
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W8M
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ENZYMATIC AND STRUCTURAL CHARACTERISATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, ETHYL OXO(PIPERIDIN-1-YL)ACETATE
Authors:Kontopidis, G., Taylor, P., Walkinshaw, M.
Deposit date:2004-09-24
Release date:2004-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W8V
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ENZYMATIC AND STRUCTURAL CHARACTERIZATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Kontopidis, G., Taylor, P., Walkinshaw, M.
Deposit date:2004-09-28
Release date:2004-09-30
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
5NOQ
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3-CHLOROPYRIDIN-2-AMINE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 3-chloranylpyridin-2-amine
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOR
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3-METHYLPYRIDIN-2-AMINE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 3-methylpyridin-2-amine
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOS
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3-AMINO-1H-PYRIDIN-2-ONE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 5-azanyl-3~{H}-pyridin-6-one
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOT
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 4-CHLOROPYRIMIDIN-5-AMINE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 4-chloranylpyrimidin-5-amine
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOU
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH HEXAHYDROPYRIMIDIN-2-ONE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOV
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH HEXAHYDROPYRIMIDINE-2-THIONE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 1,3-diazinane-2-thione
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOW
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH PYRIDINE-3,4-DIAMINE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, pyridine-3,4-diamine
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOX
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 2-CHLOROPYRIDIN-3-AMINE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 2-chloranylpyridin-3-amine
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOY
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3,4-DIAMINOBENZAMIDE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 3,4-bis(azanyl)benzamide
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOZ
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STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3,4-DIAMINOBENZOHYDRAZIDE
Descriptor:Peptidyl-prolyl cis-trans isomerase A, 3,4-bis(azanyl)benzohydrazide
Authors:Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
1J3I
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WILD-TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH WR99210, NADPH, AND DUMP
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
1J3J
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DOUBLE MUTANT (C59R+S108N) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH PYRIMETHAMINE, NADPH, AND DUMP
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
1J3K
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QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH WR99210, NADPH, AND DUMP
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
1URC
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CYCLIN A BINDING GROOVE INHIBITOR ACE-ARG-LYS-LEU-PHE-GLY
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR
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:2003-10-28
Release date:2003-10-31
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes.
Org. Biomol. Chem., 2, 2004