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1VJM
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BU of 1vjm by Molmil
Deformation of helix C in the low-temperature L-intermediate of bacteriorhodopsin
分子名称: Bacteriorhodopsin, RETINAL
著者Edman, K, Royant, A, Larsson, G, Jacobson, F, Taylor, T, van der Spoel, D, Landau, E.M, Pebay-Peyroula, E, Neutze, R.
登録日2004-03-12
公開日2004-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Deformation of helix C in the low temperature L-intermediate of bacteriorhodopsin.
J.Biol.Chem., 279, 2004
7DKJ
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BU of 7dkj by Molmil
Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fv-clasp heavy chain, Fv-clasp light chain, ...
著者Shirouzu, M.
登録日2020-11-24
公開日2021-11-24
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
To Be Published
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T75
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Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Whitley, M.J, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T73
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Crystal structure of KRAS4a-R151G with bound GDP and Mg ion
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T74
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Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Whitley, M.J, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
6XGU
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BU of 6xgu by Molmil
Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-18
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XI7
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BU of 6xi7 by Molmil
Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I)
分子名称: CHLORIDE ION, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Chan, A.H, Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6YR8
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BU of 6yr8 by Molmil
Affimer K6 - KRAS protein complex
分子名称: Affimer K6, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2020-04-19
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
6YXW
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BU of 6yxw by Molmil
Affimer K3 - KRAS protein complex
分子名称: Affimer K3, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2020-05-04
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
6PQ3
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Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K.
登録日2019-07-08
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
6VJJ
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BU of 6vjj by Molmil
Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-01-16
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6WGH
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BU of 6wgh by Molmil
Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region
分子名称: CITRATE ANION, GLYCEROL, GTPase NRas, ...
著者Dharmaiah, S, Simanshu, D.K.
登録日2020-04-05
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
6XHA
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BU of 6xha by Molmil
Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
分子名称: CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-18
公開日2021-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XGV
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BU of 6xgv by Molmil
Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
分子名称: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-18
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XHB
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BU of 6xhb by Molmil
Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II)
分子名称: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-18
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Chan, A.H, Simanshu, D.K.
登録日2022-08-31
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
8EPW
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BU of 8epw by Molmil
Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2022-10-06
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
7NY8
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BU of 7ny8 by Molmil
Affimer K69 - KRAS protein complex
分子名称: Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2021-03-21
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
分子名称: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-05-06
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
8C12
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BU of 8c12 by Molmil
Identification of an intermediate activation state of PAK5 reveals a novel mechanism of kinase inhibition.
分子名称: PAK5-Af17, Serine/threonine-protein kinase PAK 5
著者Martin, H.L, Turner, A.L, Trinh, C.H, Bayliss, R.W, Tomlinson, D.C.
登録日2022-12-19
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Affimer-mediated locking of p21-activated kinase 5 in an intermediate activation state results in kinase inhibition.
Cell Rep, 42, 2023
5V03
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A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
分子名称: CALCIUM ION, Calmodulin, N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine, ...
著者Liu, S.
登録日2017-02-28
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
5V02
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BU of 5v02 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
分子名称: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, Calmodulin-1, ...
著者Liu, S.
登録日2017-02-28
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018

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