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1OKV
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BU of 1okv by Molmil
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
1OKW
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BU of 1okw by Molmil
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
1OL1
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BU of 1ol1 by Molmil
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
1OL2
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BU of 1ol2 by Molmil
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
1W8V
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BU of 1w8v by Molmil
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:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W8M
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BU of 1w8m by Molmil
Enzymatic and Structural Characterisation of Non Peptide Ligand Cyclophilin Complexes
Descriptor: ETHYL OXO(PIPERIDIN-1-YL)ACETATE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Kontopidis, G, Taylor, P, Walkinshaw, M.
Deposit date:2004-09-24
Release date:2004-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W8L
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BU of 1w8l by Molmil
Enzymatic and structural characterization of non peptide ligand cyclophilin complexes
Descriptor: (3R)-1-ACETYL-3-METHYLPIPERIDINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Kontopidis, G, Taylor, P, Walkinshaw, M.
Deposit date:2004-09-23
Release date:2004-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W60
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BU of 1w60 by Molmil
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
1VYM
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BU of 1vym by Molmil
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
5NOW
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BU of 5now by Molmil
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:2024-01-17
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
5NOV
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BU of 5nov by Molmil
Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione
Descriptor: 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOZ
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BU of 5noz by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide
Descriptor: 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOS
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BU of 5nos by Molmil
Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one
Descriptor: 5-azanyl-3~{H}-pyridin-6-one, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOQ
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BU of 5noq by Molmil
Structure of cyclophilin A in complex with 3-chloropyridin-2-amine
Descriptor: 3-chloranylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOU
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BU of 5nou by Molmil
Structure of cyclophilin A in complex with hexahydropyrimidin-2-one
Descriptor: 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOT
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BU of 5not by Molmil
Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine
Descriptor: 4-chloranylpyrimidin-5-amine, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOR
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BU of 5nor by Molmil
Structure of cyclophilin A in complex with 3-methylpyridin-2-amine
Descriptor: 3-methylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
5NOX
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BU of 5nox by Molmil
Structure of cyclophilin A in complex with 2-chloropyridin-3-amine
Descriptor: 2-chloranylpyridin-3-amine, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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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BU of 5noy by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzamide
Descriptor: 3,4-bis(azanyl)benzamide, Peptidyl-prolyl cis-trans isomerase A
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:2024-01-17
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
1J3I
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BU of 1j3i by Molmil
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
1J3K
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BU of 1j3k by Molmil
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
1J3J
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BU of 1j3j by Molmil
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
1URC
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BU of 1urc by Molmil
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:2023-12-13
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

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