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PDB: 172 件
5F66
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BU of 5f66 by Molmil
High-resolution isotropic multiconformer synchrotron model of CypA at 273 K
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S.
登録日2015-12-05
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
4N1M
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BU of 4n1m by Molmil
Structure of Cyclophilin A in complex with GlyPro.
分子名称: GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase A
著者Mcnae, I.W, Patterson, A, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
6GJL
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BU of 6gjl by Molmil
Cyclophilin A complexed with tri-vector ligand 10.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)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 (1.16 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
6GS6
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BU of 6gs6 by Molmil
Cyclophilin A single mutant D66A in complex with an inhibitor.
分子名称: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
著者Georgiou, C, De Simone, A, Juarez-Jimenez, J, Walkinshaw, M.D, Michel, J.
登録日2018-06-13
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Chem Sci, 2020
8TBG
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BU of 8tbg by Molmil
Tricomplex of RMC-7977, HRAS WT, 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, GLYCEROL, GTPase HRas, ...
著者Chen, A, Tomlinson, A.C.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 (1.2 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
4YUO
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BU of 4yuo by Molmil
High-resolution multiconformer synchrotron model of CypA at 273 K
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
登録日2015-03-18
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
2X25
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BU of 2x25 by Molmil
Free acetyl-CypA orthorhombic form
分子名称: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Lammers, M, Neumann, H, Chin, J.W, James, L.C.
登録日2010-01-11
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization.
Nat.Chem.Biol., 6, 2010
7UXM
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BU of 7uxm by Molmil
Structure of PPIA in complex with FP29092, a Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
5LUD
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BU of 5lud by Molmil
Structure of Cyclophilin A in complex with 2,3-Diaminopyridine
分子名称: Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine
著者McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D.
登録日2016-09-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200.
FEBS Open Bio, 7, 2017
3K0M
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Cryogenic structure of CypA
分子名称: Cyclophilin A
著者Fraser, J.S, Alber, T.
登録日2009-09-24
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
分子名称: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
8TBK
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BU of 8tbk by Molmil
Tricomplex of RMC-7977, KRAS G12C, 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 (1.26 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
6GJY
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BU of 6gjy by Molmil
Cyclophilin A complexed with tri-vector ligand 5.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
著者Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
登録日2018-05-17
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 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
5NOU
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BU of 5nou by Molmil
Structure of cyclophilin A in complex with hexahydropyrimidin-2-one
分子名称: 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.3 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
7ABT
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BU of 7abt by Molmil
Structure of PPIA in complex with PR dipeptide repeat
分子名称: PRO-ARG-PRO-ARG-PRO-ARG-PRO-ARG, Peptidyl-prolyl cis-trans isomerase A
著者Babu, M, Zweckstetter, M, Becker, S.
登録日2020-09-08
公開日2021-06-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Proline/arginine dipeptide repeat polymers derail protein folding in amyotrophic lateral sclerosis.
Nat Commun, 12, 2021
4YUH
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BU of 4yuh by Molmil
Multiconformer synchrotron model of CypA at 150 K
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
登録日2015-03-18
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
5NOS
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BU of 5nos by Molmil
Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one
分子名称: 5-azanyl-3~{H}-pyridin-6-one, 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 (1.35 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
6GJM
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BU of 6gjm by Molmil
Cyclophilin A complexed with tri-vector ligand 4.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-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 (1.354 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
7UXN
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BU of 7uxn by Molmil
Structure of PPIA in complex with FP29103, a Helicon Polypeptide
分子名称: FP29103, N,N'-(1,4-phenylene)diacetamide, Peptidyl-prolyl cis-trans isomerase A
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
6I42
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BU of 6i42 by Molmil
Structure of the alpha-Synuclein PreNAC/Cyclophilin A-complex
分子名称: Alpha-synuclein, Peptidyl-prolyl cis-trans isomerase A
著者Favretto, F, Zweckstetter, M, Becker, S.
登録日2018-11-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The Molecular Basis of the Interaction of Cyclophilin A with alpha-Synuclein.
Angew.Chem.Int.Ed.Engl., 59, 2020
4YUI
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BU of 4yui by Molmil
Multiconformer synchrotron model of CypA at 180 K
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
登録日2015-03-18
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
6GJJ
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BU of 6gjj by Molmil
Cyclophilin A complexed with tri-vector ligand 2.
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-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 (1.38 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
3K0N
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BU of 3k0n by Molmil
Room temperature structure of CypA
分子名称: Cyclophilin A
著者Fraser, J.S, Alber, T.
登録日2009-09-24
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
8G9Q
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BU of 8g9q by Molmil
Tricomplex of Compound-1, KRAS G12C, and CypA
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-02-21
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
2X2A
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BU of 2x2a by Molmil
Free acetyl-CypA trigonal form
分子名称: GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, SULFATE ION
著者Lammers, M, Neumann, H, Chin, J.W, James, L.C.
登録日2010-01-12
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization.
Nat.Chem.Biol., 6, 2010

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