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PDB: 172 件
6X3R
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Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors
分子名称: Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
著者Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日2020-05-21
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
5NOR
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Structure of cyclophilin A in complex with 3-methylpyridin-2-amine
分子名称: 3-methylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
6X4Q
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Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33)
分子名称: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日2020-05-22
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
1CWL
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HUMAN CYCLOPHILIN A COMPLEXED WITH 4 4-HYDROXY-MELEU CYCLOSPORIN
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-26
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1W8L
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Enzymatic and structural characterization of non peptide ligand cyclophilin complexes
分子名称: (3R)-1-ACETYL-3-METHYLPIPERIDINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Kontopidis, G, Taylor, P, Walkinshaw, M.
登録日2004-09-23
公開日2004-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1BCK
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HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN
分子名称: CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-04-30
公開日1998-09-16
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWK
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HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-26
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
2XGY
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Complex of Rabbit Endogenous Lentivirus (RELIK)Capsid with Cyclophilin A
分子名称: GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, RELIK CAPSID N-TERMINAL DOMAIN
著者Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A.
登録日2010-06-08
公開日2010-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
4N1R
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Structure of Cyclophilin A in complex with benzenesulfonohydrazide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, benzenesulfonohydrazide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
1FGL
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Cyclophilin A complexed with a fragment of HIV-1 GAG protein
分子名称: CYCLOPHILIN A, HIV-1 GAG PROTEIN
著者Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
登録日1996-11-18
公開日1997-04-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity.
Structure, 5, 1997
1CWJ
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HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-25
公開日1998-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
8HZ8
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Structure of PPIA in complex with the peptide of NRF2
分子名称: NRF2 peptide, Peptidyl-prolyl cis-trans isomerase A, N-terminally processed
著者Wanyan, W, Hui, M, Jin, H, Lu, W.
登録日2023-01-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure of PPIA in complex with the peptide of NRF2
To Be Published
1CWH
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HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-07
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWC
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IMPROVED BINDING AFFINITY FOR CYCLOPHILIN A BY A CYCLOSPORIN DERIVATIVE SINGLY MODIFIED AT ITS EFFECTOR DOMAIN
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V.
登録日1995-09-06
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Improved Binding Affinity for Cyclophilin a by a Cyclosporin Derivative Singly Modified at its Effector Domain.
J.Med.Chem., 37, 1994
1CWF
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HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-04-30
公開日1998-07-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWO
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HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN
分子名称: CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-06-05
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A.
J.Mol.Biol., 283, 1998
8TBL
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Tricomplex of RMC-7977, KRAS G12D, and CypA
分子名称: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
1M9Y
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X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,G89A Complex.
分子名称: Cyclophilin A, HIV-1 Capsid
著者Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
登録日2002-07-30
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
3CYH
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CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE SER-PRO
分子名称: CYCLOPHILIN A, PROLINE, SERINE
著者Zhao, Y, Ke, H.
登録日1996-02-27
公開日1996-07-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
1M9D
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X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) O-type chimera Complex.
分子名称: Cyclophilin A, HIV-1 Capsid
著者Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
登録日2002-07-28
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
1CWI
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HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-25
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
4N1P
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Structure of Cyclophilin A in complex with Picolinamide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
2ALF
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crystal structure of human CypA mutant K131A
分子名称: MAGNESIUM ION, Peptidyl-prolyl cis-trans isomerase A
著者Hu, H, Huang, C.-Q, Liu, H.-L, Han, Y, Chen, M.-E, Yu, L, Bi, R.-C.
登録日2005-08-05
公開日2005-08-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclease activity of Cyclophilin A and its structural basis
TO BE PUBLISHED
7PCJ
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X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex
分子名称: 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid, ...
著者Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I.
登録日2021-08-03
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A
To Be Published
6GJP
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Cyclophilin A complexed with tri-vector ligand 7.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
著者Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
登録日2018-05-16
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019

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件を2024-08-07に公開中

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