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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
5NOQ
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BU of 5noq by Molmil
Structure of cyclophilin A in complex with 3-chloropyridin-2-amine
分子名称: 3-chloranylpyridin-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 (1.6 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
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
5NOR
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BU of 5nor by Molmil
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
5NOY
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BU of 5noy by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzamide
分子名称: 3,4-bis(azanyl)benzamide, 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 (1.43 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
5NOZ
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BU of 5noz by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide
分子名称: 3,4-bis(azanyl)benzohydrazide, 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 (1.61 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
5NOT
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BU of 5not by Molmil
Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine
分子名称: 4-chloranylpyrimidin-5-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 (1.45 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
5NOX
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BU of 5nox by Molmil
Structure of cyclophilin A in complex with 2-chloropyridin-3-amine
分子名称: 2-chloranylpyridin-3-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 (1.49 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
5NOV
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BU of 5nov by Molmil
Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione
分子名称: 1,3-diazinane-2-thione, 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 (2 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
5O9Z
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BU of 5o9z by Molmil
Cryo-EM structure of a pre-catalytic human spliceosome primed for activation (B complex)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, Homo sapiens RNA, U6 small nuclear 1 (RNU6-1), ...
著者Bertram, K, Kastner, B.
登録日2017-06-20
公開日2017-08-16
最終更新日2018-10-24
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-EM Structure of a Pre-catalytic Human Spliceosome Primed for Activation.
Cell, 170, 2017
5HSV
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BU of 5hsv by Molmil
X-Ray structure of a CypA-Alisporivir complex at 1.5 angstrom resolution
分子名称: Alisporivir, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase A
著者Dujardin, M, Bouckaert, J, Rucktooa, P, Hanoulle, X.
登録日2016-01-26
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray structure of alisporivir in complex with cyclophilin A at 1.5 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6BTA
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BU of 6bta by Molmil
CypA Mutant - S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S, Kenner, L.R, Liu, L.
登録日2017-12-06
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
5WC7
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BU of 5wc7 by Molmil
CypA Mutant - I97V S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S.
登録日2017-06-29
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
5YB9
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BU of 5yb9 by Molmil
Crystal structure of a dimeric cyclophilin A from T.vaginalis
分子名称: Peptidyl-prolyl cis-trans isomerase
著者Cho, C.C, Lin, M.H, Chou, C.C, Martin, T, Chen, C, Hsu, C.H.
登録日2017-09-04
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis
Sci Rep, 8, 2018
5YBA
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BU of 5yba by Molmil
Dimeric Cyclophilin from T.vaginalis in complex with Myb1 peptide
分子名称: Myb1 peptide, Peptidyl-prolyl cis-trans isomerase
著者Cho, C.C, Lin, M.H, Martin, T, Chou, C.C, Chen, C, Hsu, C.H.
登録日2017-09-04
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis
Sci Rep, 8, 2018
5YZG
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BU of 5yzg by Molmil
The Cryo-EM Structure of Human Catalytic Step I Spliceosome (C complex) at 4.1 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Zhan, X, Yan, C, Zhang, X, Lei, J, Shi, Y.
登録日2017-12-14
公開日2018-08-08
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of a human catalytic step I spliceosome
Science, 359, 2018
6FF4
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BU of 6ff4 by Molmil
human Bact spliceosome core structure
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
著者Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H.
登録日2018-01-03
公開日2018-08-29
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and Conformational Dynamics of the Human Spliceosomal BactComplex.
Cell, 172, 2018
5Z56
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BU of 5z56 by Molmil
cryo-EM structure of a human activated spliceosome (mature Bact) at 5.1 angstrom.
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
著者Zhang, X, Yan, C, Zhan, X, Li, L, Lei, J, Shi, Y.
登録日2018-01-17
公開日2018-09-19
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Structure of the human activated spliceosome in three conformational states.
Cell Res., 28, 2018
5Z58
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BU of 5z58 by Molmil
Cryo-EM structure of a human activated spliceosome (early Bact) at 4.9 angstrom.
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
著者Zhang, X, Yan, C, Zhan, X, Li, L, Lei, J, Shi, Y.
登録日2018-01-17
公開日2018-09-19
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structure of the human activated spliceosome in three conformational states.
Cell Res., 28, 2018
5Z57
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BU of 5z57 by Molmil
Cryo-EM structure of the human activated spliceosome (late Bact) at 6.5 angstrom
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ALANINE, BUD13 homolog, ...
著者Zhang, X, Yan, C, Zhan, X, Li, L, Lei, J, Shi, Y.
登録日2018-01-17
公開日2018-09-19
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Structure of the human activated spliceosome in three conformational states.
Cell Res., 28, 2018
6HIX
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BU of 6hix by Molmil
Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the large mitoribosomal subunit
分子名称: 12S rRNA, 50S ribosomal protein L13, putative, ...
著者Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, K, Leitner, A, Boehringer, D, Schneider, A, Ban, N.
登録日2018-08-31
公開日2018-09-26
最終更新日2019-02-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
6HIV
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BU of 6hiv by Molmil
Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the complete mitoribosome
分子名称: 12S rRNA, 50S ribosomal protein L13, putative, ...
著者Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boerhringer, D, Schneider, A, Ban, N.
登録日2018-08-31
公開日2018-10-03
最終更新日2018-11-07
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
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
6GJI
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BU of 6gji by Molmil
Cyclophilin A complexed with the tri-vector ligand 8.
分子名称: GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]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 (1.6 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
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

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