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7THD
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BU of 7thd by Molmil
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B52
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, [(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid
Authors:Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
Deposit date:2022-01-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7TH6
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21
Descriptor: 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
Deposit date:2022-01-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7TH1
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BU of 7th1 by Molmil
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B3
Descriptor: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
Deposit date:2022-01-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
2WFJ
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Atomic resolution crystal structure of the PPIase domain of human cyclophilin G in complex with cyclosporin A.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CYCLOSPORIN A, ...
Authors:Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
Deposit date:2009-04-06
Release date:2009-06-16
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction.
Angew.Chem.Int.Ed.Engl., 48, 2009
7UXN
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BU of 7uxn by Molmil
Structure of PPIA in complex with FP29103, a Helicon Polypeptide
Descriptor: FP29103, N,N'-(1,4-phenylene)diacetamide, Peptidyl-prolyl cis-trans isomerase A
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXM
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BU of 7uxm by Molmil
Structure of PPIA in complex with FP29092, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXJ
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BU of 7uxj by Molmil
Structure of PPIA in complex with FP29102, a Helicon Polypeptide
Descriptor: AMINO GROUP, FP29102, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
2WFI
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BU of 2wfi by Molmil
Atomic resolution crystal structure of the PPIase domain of human cyclophilin G
Descriptor: MAGNESIUM ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE G
Authors:Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
Deposit date:2009-04-06
Release date:2009-06-16
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction
Angew.Chem.Int.Ed.Engl., 48, 2009
2WLW
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BU of 2wlw by Molmil
Structure of the N-terminal capsid domain of HIV-2
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Price, A.J, Marzetta, F, Lammers, M, Ylinen, L.M.J, Schaller, T, Wilson, S.J, Towers, G.J, James, L.C.
Deposit date:2009-06-26
Release date:2009-09-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active Site Remodelling Switches HIV Specificity of Antiretroviral Trimcyp
Nat.Struct.Mol.Biol., 16, 2009
2QER
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BU of 2qer by Molmil
Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro
Descriptor: ALANINE, Cyclophilin-like protein, putative, ...
Authors:Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2007-06-26
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro.
To be Published
2X2A
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BU of 2x2a by Molmil
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
2X2D
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BU of 2x2d by Molmil
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
2X2C
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BU of 2x2c by Molmil
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
2X7K
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BU of 2x7k by Molmil
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
2X25
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BU of 2x25 by Molmil
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
8UC4
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BU of 8uc4 by Molmil
Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
Descriptor: DI(HYDROXYETHYL)ETHER, POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Kreitler, D.F, Rangwala, A.M, Seeliger, M.A.
Deposit date:2023-09-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
To Be Published
8UC5
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BU of 8uc5 by Molmil
Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Kreitler, D.F, Rangwala, A.M, Seeliger, M.A.
Deposit date:2023-09-25
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
To Be Published
8VRG
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BU of 8vrg by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines
Descriptor: Peptidyl-prolyl cis-trans isomerase B
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8VRH
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BU of 8vrh by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8VRI
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BU of 8vri by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
1CYN
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BU of 1cyn by Molmil
CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-05-22
Release date:1996-01-29
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-Ray Structure of a Cyclophilin B/Cyclosporin Complex: Comparison with Cyclophilin a and Delineation of its Calcineurin-Binding Domain.
Proc.Natl.Acad.Sci.USA, 91, 1994
1CWB
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BU of 1cwb by Molmil
THE X-RAY STRUCTURE OF (MEBM2T)1-CYCLOSPORIN COMPLEXED WITH CYCLOPHILIN A PROVIDES AN EXPLANATION FOR ITS ANOMALOUSLY HIGH IMMUNOSUPPRESSIVE ACTIVITY
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The X-Ray Structure of (Mebm2T)1-Cyclosporin Complexed with Cyclophilin a Provides an Explanation for its Anomalously High Immunosuppressive Activity.
Protein Eng., 7, 1994
1E3B
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BU of 1e3b by Molmil
CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3
Descriptor: CYCLOPHILIN 3, GOLD ION, TRIETHYLPHOSPHANE
Authors:Zou, J, Taylor, P, Dornan, J, Robinson, S.P, Walkinshaw, M.D, Sadler, P.J.
Deposit date:2000-06-08
Release date:2000-10-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First Crystal Structure of a Medicinally Relevant Gold Protein Complex:Unexpected Binding of [Au(Pet (3))](+) to Histidine
Angew.Chem.Int.Ed.Engl., 39, 2000
1CWJ
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BU of 1cwj by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN
Descriptor: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
Deposit date:1998-05-25
Release date:1998-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1DYW
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BU of 1dyw by Molmil
Biochemical and structural characterization of a divergent loop cyclophilin from Caenorhabditis elegans
Descriptor: CYCLOPHILIN 3
Authors:Dornan, J, Page, A.P, Taylor, P, Wu, S.Y, Winter, A.D, Husi, H, Walkinshaw, M.D.
Deposit date:2000-02-10
Release date:2000-06-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and Structural Characterization of a Divergent Loop Cyclophilin from Caenorhabditis Elegans
J.Biol.Chem., 274, 1999

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