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6V94
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BU of 6v94 by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole, 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 (1.8 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9J
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BU of 6v9j by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, 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 (1.76 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V65
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BU of 6v65 by Molmil
Crystal structure of KRAS(GMPPNP)-NF1(GRD)-SPRED1 complex
Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Yan, W, Simanshu, D.K.
Deposit date:2019-12-04
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR.
Cell Rep, 32, 2020
5DHF
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BU of 5dhf by Molmil
Crystal Structure of hRio2 NES Peptide in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, Exportin-1, GLYCEROL, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2015-08-30
Release date:2015-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Structural determinants of nuclear export signal orientation in binding to exportin CRM1.
Elife, 4, 2015
5DIS
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BU of 5dis by Molmil
Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Monecke, T, Port, S.A, Dickmanns, A, Kehlenbach, R.H, Ficner, R.
Deposit date:2015-09-01
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export.
Cell Rep, 13, 2015
6V9M
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BU of 6v9m by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, 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 (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
5DH9
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BU of 5dh9 by Molmil
Crystal Structure of PKI NES Flip Mutant Peptide in complex with CRM1-Ran-RanBP1
Descriptor: Engineered Nuclear Export Signal Peptide (PKINES-Flip3 mutant), Exportin-1, GLYCEROL, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2015-08-30
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural determinants of nuclear export signal orientation in binding to exportin CRM1.
Elife, 4, 2015
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
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
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
5DHA
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BU of 5dha by Molmil
Crystal Structure of CPEB4 NES Reverse Mutant Peptide in complex with CRM1-Ran-RanBP1
Descriptor: Engineered Nuclear Export Signal Peptide (CPEB4 NES reverse mutant), Exportin-1, GLYCEROL, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2015-08-30
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural determinants of nuclear export signal orientation in binding to exportin CRM1.
Elife, 4, 2015
5DIF
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BU of 5dif by Molmil
Crystal Structure of CPEB4 NES Peptide in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, Cytoplasmic polyadenylation element-binding protein 4, Exportin-1, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2015-08-31
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structural determinants of nuclear export signal orientation in binding to exportin CRM1.
Elife, 4, 2015
8F7A
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BU of 8f7a by Molmil
Cryo-EM structure of Importin-9 bound to RanGTP
Descriptor: GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin-9, ...
Authors:Bernardes, N.E, Chook, Y.M.
Deposit date:2022-11-18
Release date:2023-07-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Mechanism of RanGTP priming H2A-H2B release from Kap114 in an atypical RanGTP•Kap114•H2A-H2B complex.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
5DI9
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BU of 5di9 by Molmil
Crystal Structure of hRio2 NES Reverse Mutant Peptide in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, Engineered Nuclear Export Signal Peptide (hRio2 NES reverse mutant), Exportin-1, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2015-08-31
Release date:2015-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural determinants of nuclear export signal orientation in binding to exportin CRM1.
Elife, 4, 2015
6TKZ
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BU of 6tkz by Molmil
Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42
Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL, ...
Authors:Barford, D.
Deposit date:2019-11-29
Release date:2020-01-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
6TGC
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BU of 6tgc by Molmil
CryoEM structure of the ternary DOCK2-ELMO1-RAC1 complex.
Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D.
Deposit date:2019-11-15
Release date:2020-07-29
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
8HQ6
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BU of 8hq6 by Molmil
KL2 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HQ3
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BU of 8hq3 by Molmil
KL1 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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
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
8HQ4
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BU of 8hq4 by Molmil
B27 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Lei, Y, Sun, Q.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:B27 in complex with CRM1-Ran-RanBP1
To Be Published
8HQ5
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BU of 8hq5 by Molmil
G6 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:F1 in complex with CRM1-Ran-RanBP1
To Be Published
5DLQ
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BU of 5dlq by Molmil
Crystal structure of RanGTP-Exportin 4-eIF5A complex
Descriptor: Eukaryotic translation initiation factor 5A-1, Exportin-4, GTP-binding nuclear protein Ran, ...
Authors:Aksu, M, Trakhanov, S, Gorlich, D.
Deposit date:2015-09-07
Release date:2016-06-22
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the exportin Xpo4 in complex with RanGTP and the hypusine-containing translation factor eIF5A.
Nat Commun, 7, 2016

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