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2IGW
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BU of 2igw by Molmil
CYCLOPHILIN 3 complexed with DIPEPTIDE GLY-PRO
Descriptor: GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase 3
Authors:Kan, D.
Deposit date:2006-09-25
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Experimental Determination of van der Waals Energies in a Biological System.
Angew.Chem.Int.Ed.Engl., 46, 2007
6RA1
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BU of 6ra1 by Molmil
Human Cyclophilin D in complex with norbornane fragment derivative
Descriptor: 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, 2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Graedler, U.
Deposit date:2019-04-05
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
2IGV
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BU of 2igv by Molmil
CYCLOPHILIN 3 Complexed with DIPEPTIDE SER-PRO
Descriptor: PROLINE, Peptidyl-prolyl cis-trans isomerase 3, SERINE
Authors:Kan, D.
Deposit date:2006-09-25
Release date:2007-08-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Experimental Determination of van der Waals Energies in a Biological System.
Angew.Chem.Int.Ed.Engl., 46, 2007
6R9X
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BU of 6r9x by Molmil
Human Cyclophilin D in complex with N-cyclopentyl-N'-pyridin-2-ylmethyl-oxalamide
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide
Authors:Graedler, U.
Deposit date:2019-04-04
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6R8L
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BU of 6r8l by Molmil
Human Cyclophilin D in complex with 1-((1S,9S,10S)-10-Hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ylmethyl)-3- {2-[(R)-2-(2-methylsulfanyl-phenyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-urea
Descriptor: 1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Graedler, U.
Deposit date:2019-04-02
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6R8O
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BU of 6r8o by Molmil
Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
Descriptor: 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Graedler, U.
Deposit date:2019-04-02
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6R8W
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BU of 6r8w by Molmil
Human Cyclophilin D in complex with 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide, HEXAETHYLENE GLYCOL, ...
Authors:Graedler, U.
Deposit date:2019-04-02
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6R9S
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BU of 6r9s by Molmil
Human Cyclophilin D in complex with bicyclic fragment
Descriptor: (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Graedler, U.
Deposit date:2019-04-04
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6R9U
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BU of 6r9u by Molmil
Human Cyclophilin D in complex with fragment
Descriptor: 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
Authors:Graedler, U.
Deposit date:2019-04-04
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6X4O
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BU of 6x4o by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21)
Descriptor: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
Authors:Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
Deposit date:2020-05-22
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
6Y3E
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BU of 6y3e by Molmil
Scaffold-ligand complex with ligand unmodelled
Descriptor: 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, PHOSPHATE ION, ...
Authors:Zacharchenko, T, Lian, L.Y.
Deposit date:2020-02-18
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
2HE9
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BU of 2he9 by Molmil
Structure of the peptidylprolyl isomerase domain of the human NK-tumour recognition protein
Descriptor: NK-tumor recognition protein, SULFATE ION
Authors:Walker, J.R, Davis, T, Newman, E.M, MacKenzie, F, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
2FU0
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BU of 2fu0 by Molmil
Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain
Descriptor: cyclophilin, putative
Authors:Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2006-01-25
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2GW2
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BU of 2gw2 by Molmil
Crystal structure of the peptidyl-prolyl isomerase domain of human cyclophilin G
Descriptor: Peptidyl-prolyl cis-trans isomerase G, UNKNOWN ATOM OR ION
Authors:Bernstein, G, Tempel, W, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-05-03
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
2HAQ
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BU of 2haq by Molmil
Crystal Structure of Cyclophilin A from Leishmania Donovani
Descriptor: Cyclophilin
Authors:Venugopal, V, Sen, B, Datta, A.K, Banerjee, R.
Deposit date:2006-06-13
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of cyclophilin from Leishmania donovani at 1.97 A resolution.
Acta Crystallogr.,Sect.F, 63, 2007
4EYV
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BU of 4eyv by Molmil
Crystal structure of Cyclophilin A like protein from Piriformospora indica
Descriptor: PHOSPHATE ION, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase, ...
Authors:Bhatt, H, Pal, R.K, Tuteja, N, Bhavesh, N.S.
Deposit date:2012-05-02
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of RNA-interacting Cyclophilin A-like protein from Piriformospora indica that provides salinity-stress tolerance in plants
Sci Rep, 3, 2013
4DGE
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BU of 4dge by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant, HIV-1 CA(O-loop) complex
Descriptor: TRIMCyp, capsid protein
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DGD
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BU of 4dgd by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant
Descriptor: GLYCEROL, TRIMCyp
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DGC
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BU of 4dgc by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex
Descriptor: TRIMCyp, cyclosporin A
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DGB
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BU of 4dgb by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: HIV-2 CA cyclophilin-binding loop complex
Descriptor: TRIMCyp, capsid protein
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4E1Q
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BU of 4e1q by Molmil
Crystal structure of Wheat Cyclophilin A at 1.25 A resolution
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Sekhon, S.S, Jeong, D.G, Woo, E.J, Singh, P, Yoon, T.S.
Deposit date:2012-03-06
Release date:2013-03-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Structural and biochemical characterization of the cytosolic wheat cyclophilin TaCypA-1
Acta Crystallogr.,Sect.D, 69, 2013
4DGA
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BU of 4dga by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: HIV-1 CA(O-loop) complex
Descriptor: TRIMCyp, capsid protein
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4FRV
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BU of 4frv by Molmil
Crystal structure of mutated cyclophilin B that causes hyperelastosis cutis in the American Quarter Horse
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ...
Authors:Boudko, S.P, Ishikawa, Y, Bachinger, H.P.
Deposit date:2012-06-26
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse.
BMC Res Notes, 5, 2012
4FRU
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BU of 4fru by Molmil
Crystal structure of horse wild-type cyclophilin B
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ...
Authors:Boudko, S.P, Ishikawa, Y, Bachinger, H.P.
Deposit date:2012-06-26
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse.
BMC Res Notes, 5, 2012
2CPL
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BU of 2cpl by Molmil
SIMILARITIES AND DIFFERENCES BETWEEN HUMAN CYCLOPHILIN A AND OTHER BETA-BARREL STRUCTURES. STRUCTURAL REFINEMENT AT 1.63 ANGSTROMS RESOLUTION
Descriptor: CYCLOPHILIN A
Authors:Ke, H.
Deposit date:1992-06-30
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Similarities and differences between human cyclophilin A and other beta-barrel structures. Structural refinement at 1.63 A resolution.
J.Mol.Biol., 228, 1992

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