4J5B
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4JJM
| Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A | Descriptor: | Peptidyl-prolyl cis-trans isomerase, cyclosporin A | Authors: | Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E. | Deposit date: | 2013-03-08 | Release date: | 2013-06-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins. Plant Physiol., 162, 2013
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4J5D
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J58
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Gelin, M, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J59
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5A
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Rationnal Design of small-molecule inhibitors of human Cyclophilins and HCV replication. to be published
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4J5C
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5E
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4LQW
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2XGY
| Complex of Rabbit Endogenous Lentivirus (RELIK)Capsid with Cyclophilin A | Descriptor: | GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, RELIK CAPSID N-TERMINAL DOMAIN | Authors: | Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A. | Deposit date: | 2010-06-08 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface. Cell Host Microbe, 8, 2010
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4O8H
| 0.85A resolution structure of PEG 400 Bound Cyclophilin D | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S. | Deposit date: | 2013-12-27 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules. Acta Crystallogr F Struct Biol Commun, 70, 2014
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2X25
| Free acetyl-CypA orthorhombic form | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-11 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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2X2A
| Free acetyl-CypA trigonal form | Descriptor: | GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, SULFATE ION | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-12 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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2X2D
| acetyl-CypA:HIV-1 N-term capsid domain complex | Descriptor: | CAPSID PROTEIN P24, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-12 | Release date: | 2010-03-23 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation Nat.Chem.Biol., 6, 2010
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2X2C
| acetyl-CypA:cyclosporine complex | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-12 | Release date: | 2010-03-23 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation Nat.Chem.Biol., 6, 2010
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2X7K
| The crystal structure of PPIL1 in complex with cyclosporine A suggests a binding mode for SKIP | Descriptor: | CADMIUM ION, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 1, ... | Authors: | Stegmann, C.M, Luehrmann, R, Wahl, M.C. | Deposit date: | 2010-03-01 | Release date: | 2010-03-23 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The Crystal Structure of Ppil1 Bound to Cyclosporine a Suggests a Binding Mode for a Linear Epitope of the Skip Protein. Plos One, 5, 2010
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5NOV
| 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
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5NOQ
| 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
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5NOU
| 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
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5NOS
| 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
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2Z6W
| Crystal structure of human cyclophilin D in complex with cyclosporin A | Descriptor: | CITRIC ACID, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | Authors: | Kajitani, K, Fujihashi, M, Kobayashi, Y, Shimizu, S, Tsujimoto, Y, Miki, K. | Deposit date: | 2007-08-09 | Release date: | 2008-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Crystal Structure of Human Cyclophilin D in Complex with its Inhibitor, Cyclosporin a at 0.96-A Resolution. Proteins, 70, 2008
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4O8I
| 1.45A resolution structure of PEG 400 Bound Cyclophilin D | Descriptor: | PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S. | Deposit date: | 2013-12-27 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4N1P
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4N1S
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4N1O
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