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4YUK
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BU of 4yuk by Molmil
Multiconformer synchrotron model of CypA at 260 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 (1.48 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUG
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BU of 4yug by Molmil
Multiconformer synchrotron model of CypA at 100 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2024-02-28
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUL
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BU of 4yul by Molmil
Multiconformer synchrotron model of CypA at 280 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 (1.42 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
6DMJ
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BU of 6dmj by Molmil
A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
5E1P
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BU of 5e1p by Molmil
Ca(2+)-Calmodulin from Paramecium tetraurelia qFit disorder model
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin
著者Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A.
登録日2015-09-29
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
5E1N
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BU of 5e1n by Molmil
Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia qFit disorder model
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin
著者Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A.
登録日2015-09-29
公開日2015-11-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
6DML
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BU of 6dml by Molmil
A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4
分子名称: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
6DMG
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BU of 6dmg by Molmil
A multiconformer ligand model of EK6 bound to ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
6DMI
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BU of 6dmi by Molmil
A multiconformer ligand model of 5T5 bound to BACE-1
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
5KV7
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BU of 5kv7 by Molmil
Human cyclophilin A at 278K, Data set 9
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXK
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BU of 5kxk by Molmil
Hen Egg White Lysozyme at 100K, Data set 1
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXP
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BU of 5kxp by Molmil
Hen Egg White Lysozyme at 278K, Data set 2
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXY
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BU of 5kxy by Molmil
Hen Egg White Lysozyme at 278K, Data set 8
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KUL
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BU of 5kul by Molmil
Human cyclophilin A at 100K, Data set 1
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KUU
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BU of 5kuu by Molmil
Human cyclophilin A at 100K, Data set 7
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KV2
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BU of 5kv2 by Molmil
Human cyclophilin A at 278K, Data set 4
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KUS
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BU of 5kus by Molmil
Human cyclophilin A at 100K, Data set 6
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KV1
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BU of 5kv1 by Molmil
Human cyclophilin A at 278K, Data set 3
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXT
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BU of 5kxt by Molmil
Hen Egg White Lysozyme at 278K, Data set 5
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KVW
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BU of 5kvw by Molmil
T. danielli thaumatin at 100K, Data set 1
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-15
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KW3
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BU of 5kw3 by Molmil
T. danielli thaumatin at 278K, Data set 1
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-15
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KY1
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BU of 5ky1 by Molmil
Hen Egg White Lysozyme at 278K, Data set 10
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KUN
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BU of 5kun by Molmil
Human cyclophilin A at 100K, Data set 2
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KUW
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BU of 5kuw by Molmil
Human cyclophilin A at 100K, Data set 9
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KV5
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BU of 5kv5 by Molmil
Human cyclophilin A at 278K, Data set 7
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017

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件を2024-07-17に公開中

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