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6UZK
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BU of 6uzk by Molmil
Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi6
Descriptor: 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Gingras, A.R.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells.
Faseb Bioadv, 3, 2021
6V9F
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BU of 6v9f by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9L
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BU of 6v9l by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, ACETATE ION, FORMIC ACID, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
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
3Q3J
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BU of 3q3j by Molmil
Crystal structure of plexin A2 RBD in complex with Rnd1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A2, ...
Authors:Wang, H, Tempel, W, Tong, Y, Guan, X, Shen, L, Buren, L, Zhang, N, Wernimont, A.K, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-12-21
Release date:2011-01-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Crystal structure of plexin A2 RBD in complex with Rnd1
to be published
4F38
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BU of 4f38 by Molmil
Crystal structure of geranylgeranylated RhoA in complex with RhoGDI in its active GPPNHP-bound form
Descriptor: GERAN-8-YL GERAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Guo, Z, Tnimov, Z, Alexandrov, K.
Deposit date:2012-05-09
Release date:2012-05-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quantitative Analysis of Prenylated RhoA Interaction with Its Chaperone, RhoGDI.
J.Biol.Chem., 287, 2012
4FMC
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BU of 4fmc by Molmil
EspG-Rab1 complex
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shao, F, Zhu, Y.
Deposit date:2012-06-16
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
6W4F
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BU of 6w4f by Molmil
NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
Deposit date:2020-03-10
Release date:2020-04-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
6W4E
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BU of 6w4e by Molmil
NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ...
Authors:Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
Deposit date:2020-03-10
Release date:2020-04-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
4G0N
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BU of 4g0n by Molmil
Crystal Structure of wt H-Ras-GppNHp bound to the RBD of Raf Kinase
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ACETATE ION, CALCIUM ION, ...
Authors:Fetics, S.K, Kearney, B.M, Buhrman, G, Mattos, C.
Deposit date:2012-07-09
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Allosteric Effects of the Oncogenic RasQ61L Mutant on Raf-RBD.
Structure, 23, 2015
6X2W
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BU of 6x2w by Molmil
Crystal Structure of PKINES peptide bound to CRM1(E571K)
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2U
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BU of 6x2u by Molmil
Crystal Structure of PKINES peptide bound to CRM1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
4GMX
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BU of 4gmx by Molmil
Crystal structure of KPT185 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-08-16
Release date:2012-10-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective inhibitors of nuclear export show that CRM1/XPO1 is a target in chronic lymphocytic leukemia.
Blood, 120, 2012
4G01
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BU of 4g01 by Molmil
ARA7-GDP-Ca2+/VPS9a
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein RABF2b, ...
Authors:Ihara, K.
Deposit date:2012-07-09
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct metal recognition by guanine nucleotide-exchange factor in the initial step of the exchange reaction
Acta Crystallogr.,Sect.D, 69, 2013
6WCW
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BU of 6wcw by Molmil
Structure of human Rubicon RH domain in complex with GTP-bound Rab7
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ...
Authors:Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for autophagy inhibition by the human Rubicon-Rab7 complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
4HAW
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BU of 4haw by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548A)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HB4
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BU of 4hb4 by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(537DLTVK541/GLCEQ)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
6X2S
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BU of 6x2s by Molmil
Crystal Structure of Mek1(NQ)NES peptide bound to CRM
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2P
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BU of 6x2p by Molmil
Crystal Structure of the Mek1NES peptide bound to CRM1
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2V
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BU of 6x2v by Molmil
Crystal Structure of PKI(DE)NES peptide bound to CRM1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.822 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
3QBT
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BU of 3qbt by Molmil
Crystal structure of OCRL1 540-678 in complex with Rab8a:GppNHp
Descriptor: Inositol polyphosphate 5-phosphatase OCRL-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Hou, X, Hagemann, N, Schoebel, S, Blankenfeldt, W, Goody, R.S, Erdmann, K.S, Itzen, A.
Deposit date:2011-01-14
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural basis for Lowe syndrome caused by mutations in the Rab-binding domain of OCRL1.
Embo J., 30, 2011
6X2O
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BU of 6x2o by Molmil
Crystal Structure of unliganded CRM1(E571K)-Ran-RanBP1
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2M
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BU of 6x2m by Molmil
Crystal Structure of unliganded CRM1-Ran-RanBP1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
4FMB
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BU of 4fmb by Molmil
VirA-Rab1 complex structure
Descriptor: ALUMINUM FLUORIDE, Cysteine protease-like virA, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shao, F, Zhu, Y.
Deposit date:2012-06-16
Release date:2012-09-05
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
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

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