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6ZRN
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BU of 6zrn by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427S/L429M/Q433L/K440R) in complex with RalB-GMPPNP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D.
Deposit date:2020-07-13
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6V6M
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BU of 6v6m by Molmil
Crystal structure of an inactive state of GMPPNP-bound RhoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V9O
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BU of 6v9o by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 3-(phenylsulfonyl)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
To Be Published
6YX5
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BU of 6yx5 by Molmil
Structure of DrrA from Legionella pneumophilia in complex with human Rab8a
Descriptor: MAGNESIUM ION, Multifunctional virulence effector protein DrrA, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Schneider, S, Du, J, von Wrisberg, M.K, Lang, K, Itzen, A.
Deposit date:2020-04-30
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1.
Nat Commun, 12, 2021
6V6V
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BU of 6v6v by Molmil
Crystal structure of oncogenic RhoA mutant G14V complexed with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-06
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6U
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BU of 6v6u by Molmil
Crystal structure of RhoA-GDP with novel Switch I conformation
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-06
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
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
Descriptor: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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)
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XJU
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BU of 6xju by Molmil
Crystal Structure of KPT-8602 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ)
Descriptor: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
6XJS
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BU of 6xjs by Molmil
Crystal Structure of KPT-330 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
6XJT
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BU of 6xjt by Molmil
Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Descriptor: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
6XJP
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BU of 6xjp by Molmil
Crystal Structure of KPT-185 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
6XJR
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BU of 6xjr by Molmil
Crystal Structure of KPT-185 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
7L5E
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BU of 7l5e by Molmil
Crystal Structure of KPT-330 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-12-21
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BWT
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BU of 7bwt by Molmil
SopD-Rab8 complex structure
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jiang, K, Tong, M, Chen, Z, Gao, X.
Deposit date:2020-04-16
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Salmonella effector protein SopD targets Rab8 to positively and negatively modulate the inflammatory response.
Nat Microbiol, 6, 2021
7BL1
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BU of 7bl1 by Molmil
human complex II-BATS bound to membrane-attached Rab5a-GTP
Descriptor: Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O.
Deposit date:2021-01-17
Release date:2021-03-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
6WHE
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BU of 6whe by Molmil
Structure of phosphomimetic Rab8a GTPase (T72E) in the GTP-bound state
Descriptor: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Waschbusch, D, Khan, A.R.
Deposit date:2020-04-08
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Dual arginine recognition of LRRK2 phosphorylated Rab GTPases.
Biophys.J., 120, 2021
7B51
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BU of 7b51 by Molmil
Crystal structure of human CRM1 covalently modified by 2-mercaptoethanol at Cys528
Descriptor: BETA-MERCAPTOETHANOL, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Shaikhqasem, A, Ficner, R.
Deposit date:2020-12-03
Release date:2021-03-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of human CRM1, covalently modified by 2-mercaptoethanol on Cys528, in complex with RanGTP.
Acta Crystallogr.,Sect.F, 77, 2021
7LWB
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BU of 7lwb by Molmil
Crystal Structure of phospho-Rab8a with the RH2 domain (117-165) of RILPL2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RILP-like protein 2, ...
Authors:Waschbusch, D, Khan, A.R.
Deposit date:2021-02-28
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dual arginine recognition of LRRK2 phosphorylated Rab GTPases.
Biophys.J., 120, 2021
6M6X
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BU of 6m6x by Molmil
Oridonin in complex with CRM1#-Ran-RanBP1
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-16
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
7L0F
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BU of 7l0f by Molmil
Monobody 12VC3 Bound to HRAS(WT)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ...
Authors:Teng, K.W, Hattori, T, Tsai, S, Koide, S.
Deposit date:2020-12-11
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Selective and noncovalent targeting of RAS mutants for inhibition and degradation.
Nat Commun, 12, 2021
7L0G
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BU of 7l0g by Molmil
Monobody 12VC1 Bound to HRAS(G12C)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ...
Authors:Teng, K.W, Hattori, T, Tsai, S, Koide, S.
Deposit date:2020-12-11
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Selective and noncovalent targeting of RAS mutants for inhibition and degradation.
Nat Commun, 12, 2021

222415

數據於2024-07-10公開中

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