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6FA3
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BU of 6fa3 by Molmil
Antibody derived (Abd-6) small molecule binding to KRAS.
分子名称: DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6GQW
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KRAS-169 Q61H GPPNHP + CH-1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQT
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BU of 6gqt by Molmil
KRAS-169 Q61H GPPNHP + PPIN-2
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQX
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BU of 6gqx by Molmil
KRAS-169 Q61H GPPNHP + CH-2
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GOM
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BU of 6gom by Molmil
KRAS-169 Q61H GPPNHP + PPIN-1
分子名称: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3B3L
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BU of 3b3l by Molmil
Crystal structures of alternatively-spliced isoforms of human ketohexokinase
分子名称: Ketohexokinase
著者Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V.
登録日2007-10-22
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of alternatively-spliced isoforms of human ketohexokinase
To be Published
2BS0
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BU of 2bs0 by Molmil
MS2 (N87AE89K mutant) - Variant Qbeta RNA hairpin complex
分子名称: 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP *AP*AP*GP*AP*CP*UP*GP*CP*AP*U)-3', COAT PROTEIN
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-05-13
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2BS1
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MS2 (N87AE89K mutant) - Qbeta RNA hairpin complex
分子名称: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-05-13
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2BNY
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BU of 2bny by Molmil
MS2 (N87A mutant) - RNA hairpin complex
分子名称: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-04-06
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2BQ5
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BU of 2bq5 by Molmil
MS2 (N87AE89K mutant) - RNA hairpin complex
分子名称: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-04-27
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2B2D
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BU of 2b2d by Molmil
RNA stemloop operator from bacteriophage QBETA complexed with an N87S,E89K mutant MS2 capsid
分子名称: 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP*AP*AP*GP*AP*CP*AP*GP*CP*AP*U)-3', Coat protein
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-09-19
公開日2006-05-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
2B2G
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BU of 2b2g by Molmil
MS2 Wild-type RNA stemloop complexed with an N87S mutant MS2 capsid
分子名称: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-09-19
公開日2006-05-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
2B2E
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BU of 2b2e by Molmil
RNA stemloop from bacteriophage MS2 complexed with an N87S,E89K mutant MS2 capsid
分子名称: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein
著者Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
登録日2005-09-19
公開日2006-05-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
6NAC
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BU of 6nac by Molmil
Crystal structure of [FeFe]-hydrogenase I (CpI) solved with single pulse free electron laser data
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Cohen, A.E, Davidson, C.M, Zadvornyy, O.A, Keable, S.M, Lyubimov, A.Y, Song, J, McPhillips, S.E, Soltis, S.M, Peters, J.W.
登録日2018-12-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases.
J.Am.Chem.Soc., 142, 2020
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
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
4YUJ
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BU of 4yuj by Molmil
Multiconformer synchrotron model of CypA at 240 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
4YUN
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BU of 4yun by Molmil
Multiconformer synchrotron model of CypA at 310 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 (1.58 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUM
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BU of 4yum by Molmil
Multiconformer synchrotron model of CypA at 300 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 (1.5 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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
4YUP
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BU of 4yup by Molmil
Multiconformer fixed-target X-ray free electron (XFEL) 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2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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
1QY0
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Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein
分子名称: CADMIUM ION, GLYCEROL, Major urinary protein, ...
著者Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W.
登録日2003-09-09
公開日2004-02-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein.
J.Am.Chem.Soc., 126, 2004

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