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3R57
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BU of 3r57 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: GLYCEROL, N-(3-aminophenyl)acetamide, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDC
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BU of 3rdc by Molmil
Human Cyclophilin D Complexed with an Inhibitor
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
3RCF
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BU of 3rcf by Molmil
Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide
Descriptor: N-[(4-aminophenyl)sulfonyl]benzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-31
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCL
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BU of 3rcl by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-(1,3-oxazol-5-yl)aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-31
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R49
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BU of 3r49 by Molmil
Human cyclophilin D complexed with quinolin-8-amine
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, quinolin-8-amine
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-17
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RD9
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BU of 3rd9 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R59
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BU of 3r59 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 1-(3-aminophenyl)ethanone, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDA
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BU of 3rda by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-methyl-1,2-oxazol-5-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
1Z81
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BU of 1z81 by Molmil
Crystal Structure of cyclophilin from Plasmodium yoelii.
Descriptor: cyclophilin
Authors:Mulichak, A, Alam, Z, Amani, M, Lew, J, Wasney, G, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2005-03-29
Release date:2005-04-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
1ZKF
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BU of 1zkf by Molmil
Cyrstal Structure of Human Cyclophilin-A in Complex with suc-AGPF-pNA
Descriptor: Peptidyl-prolyl cis-trans isomerase A, Suc-ALA-GLY-PRO-PHE-pNA
Authors:Eisenmesser, E.Z, Thai, V, Pozharski, E, Kern, D.
Deposit date:2005-05-02
Release date:2006-04-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Mechanistic Insights of Cyclophilin-A from X-Ray Cyrstallographic and Nuclear Magnet Resonance Investigations
To be Published
6GJJ
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BU of 6gjj by Molmil
Cyclophilin A complexed with tri-vector ligand 2.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GJI
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BU of 6gji by Molmil
Cyclophilin A complexed with the tri-vector ligand 8.
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GJM
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BU of 6gjm by Molmil
Cyclophilin A complexed with tri-vector ligand 4.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.354 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GS6
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BU of 6gs6 by Molmil
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
1ZKC
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BU of 1zkc by Molmil
Crystal Structure of the cyclophiln_RING domain of human peptidylprolyl isomerase (cyclophilin)-like 2 isoform b
Descriptor: BETA-MERCAPTOETHANOL, Peptidyl-prolyl cis-trans isomerase like 2
Authors:Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-05-02
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
6GJR
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BU of 6gjr by Molmil
Cyclophilin A complexed with tri-vector ligand 9.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GJY
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BU of 6gjy by Molmil
Cyclophilin A complexed with tri-vector ligand 5.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-17
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GJP
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BU of 6gjp by Molmil
Cyclophilin A complexed with tri-vector ligand 7.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
1ZMF
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BU of 1zmf by Molmil
C domain of human cyclophilin-33(hcyp33)
Descriptor: Peptidyl-prolyl cis-trans isomerase E
Authors:Wang, T, Yun, C.-H, Gu, S.-Y, Chang, W.-R, Liang, D.-C.
Deposit date:2005-05-10
Release date:2005-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:1.88A crystal structure of the C domain of hCyP33: A novel domain of peptidyl-prolyl cis-trans isomerase
Biochem.Biophys.Res.Commun., 333, 2005
6GJN
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BU of 6gjn by Molmil
Cyclophilin A complexed with tri-vector ligand 15.
Descriptor: 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea, FORMIC ACID, GLYCEROL, ...
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GJL
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BU of 6gjl by Molmil
Cyclophilin A complexed with tri-vector ligand 10.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
2A2N
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BU of 2a2n by Molmil
Crystal Structure of the peptidylprolyl isomerase domain of Human PPWD1
Descriptor: GLYCEROL, peptidylprolyl isomerase domain and WD repeat containing 1
Authors:Walker, J.R, Davis, T.L, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-06-22
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human WD40 repeat-containing peptidylprolyl isomerase (PPWD1).
Febs J., 275, 2008
6HMZ
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BU of 6hmz by Molmil
Crystal Structure of a Single-Domain Cyclophilin from Brassica napus Phloem Sap
Descriptor: Cyclosporin, MAGNESIUM ION, MALONATE ION, ...
Authors:Falke, S, Hanhart, P, Garbe, M, Thiess, M, Betzel, C, Kehr, J.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Enzyme activity and structural features of three single-domain phloem cyclophilins from Brassica napus.
Sci Rep, 9, 2019
2ALF
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BU of 2alf by Molmil
crystal structure of human CypA mutant K131A
Descriptor: MAGNESIUM ION, Peptidyl-prolyl cis-trans isomerase A
Authors:Hu, H, Huang, C.-Q, Liu, H.-L, Han, Y, Chen, M.-E, Yu, L, Bi, R.-C.
Deposit date:2005-08-05
Release date:2005-08-23
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nuclease activity of Cyclophilin A and its structural basis
TO BE PUBLISHED
2B71
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BU of 2b71 by Molmil
Plasmodium yoelii cyclophilin-like protein
Descriptor: CHLORIDE ION, cyclophilin-like protein
Authors:Dong, A, Finerty, P, Wasney, G, Vedadi, M, Lew, J, Zhao, Y, Kozieradzki, I, Melone, M, Alam, Z, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2005-10-03
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007

217705

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