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5QQE
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BU of 5qqe by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-531-494
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQK
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BU of 5qqk by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-359-835
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQG
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BU of 5qqg by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-541-216
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQF
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BU of 5qqf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-004-412-710
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-1,3-thiazol-2-ylurea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQJ
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BU of 5qqj by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-587-558
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQM
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BU of 5qqm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-325
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQL
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BU of 5qql by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-301
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQI
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BU of 5qqi by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-178-994
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQH
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BU of 5qqh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-020-096-465
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQD
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BU of 5qqd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with Z56880342
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-05-03
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QU9
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BU of 5qu9 by Molmil
PanDDA analysis group deposition of ground-state model of Kalirin/Rac1 screened against a customized urea fragment library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1
Descriptor: 1,2-ETHANEDIOL, Kalirin, Ras-related C3 botulinum toxin substrate 1
Authors:Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
Deposit date:2019-12-13
Release date:2020-01-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5SZJ
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BU of 5szj by Molmil
Structure of human Rab10 in complex with the bMERB domain of Mical-cL
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, MICAL C-terminal-like protein, ...
Authors:Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
Deposit date:2016-08-14
Release date:2016-08-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
5TAR
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BU of 5tar by Molmil
Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region)
Descriptor: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
Authors:Dharmaiah, S, Tran, T.H, Simanshu, D.K.
Deposit date:2016-09-10
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of recognition of farnesylated and methylated KRAS4b by PDE delta.
Proc.Natl.Acad.Sci.USA, 113, 2016
5SZI
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BU of 5szi by Molmil
Structure of human Rab8a in complex with the bMERB domain of Mical-cL
Descriptor: MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
Deposit date:2016-08-14
Release date:2016-08-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
5SZH
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BU of 5szh by Molmil
Structure of human Rab1b in complex with the bMERB domain of Mical-cL
Descriptor: MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Goody, R.S, Mueller, M.P, Gazdag, E.M.
Deposit date:2016-08-14
Release date:2016-08-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
5SZK
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BU of 5szk by Molmil
Structure of human N-terminally engineered Rab1b in complex with the bMERB domain of Mical-cL
Descriptor: MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Gazdag, E.M, Mueller, M.P.
Deposit date:2016-08-14
Release date:2016-08-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
5TB5
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BU of 5tb5 by Molmil
Crystal structure of full-length farnesylated and methylated KRAS4b in complex with PDE-delta (crystal form I - with partially disordered hypervariable region)
Descriptor: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
Authors:Dharmaiah, S, Tran, T.H, Simanshu, D.K.
Deposit date:2016-09-11
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of recognition of farnesylated and methylated KRAS4b by PDE delta.
Proc.Natl.Acad.Sci.USA, 113, 2016
3EG5
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BU of 3eg5 by Molmil
Crystal structure of MDIA1-TSH GBD-FH3 in complex with CDC42-GMPPNP
Descriptor: Cell division control protein 42 homolog, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lammers, M, Meyer, S, Kuehlmann, D, Wittinghofer, A.
Deposit date:2008-09-10
Release date:2008-10-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Specificity of Interactions between mDia Isoforms and Rho Proteins
J.Biol.Chem., 283, 2008
3EA5
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BU of 3ea5 by Molmil
Kap95p Binding Induces the Switch Loops of RanGDP to adopt the GTP-bound Conformation: Implications for Nuclear Import Complex Assembly Dynamics
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, Importin subunit beta-1, ...
Authors:Forwood, J.K, Lonhienne, J.K, Guncar, G, Stewart, M, Marfori, M, Kobe, B.
Deposit date:2008-08-24
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kap95p binding induces the switch loops of RanGDP to adopt the GTP-bound conformation: implications for nuclear import complex assembly dynamics.
J.Mol.Biol., 383, 2008
6RIR
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BU of 6rir by Molmil
Crystal structure of phosphorylated Rab8a in complex with the Rab-binding domain of RILPL2
Descriptor: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Waschbusch, D, Purlyte, E, Alessi, D.R, Khan, A.R.
Deposit date:2019-04-25
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Structural Basis for Rab8a Recruitment of RILPL2 via LRRK2 Phosphorylation of Switch 2.
Structure, 28, 2020
6ZQT
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BU of 6zqt by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427H/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:2020-07-10
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 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
6ZSI
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BU of 6zsi by Molmil
The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members.
Descriptor: DI(HYDROXYETHYL)ETHER, EH domain-binding protein 1, MAGNESIUM ION, ...
Authors:Rai, A, Bleimling, N, Vetter, I.R, Goody, R.S.
Deposit date:2020-07-15
Release date:2020-09-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members.
Nat Commun, 11, 2020
6ZSJ
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BU of 6zsj by Molmil
The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members.
Descriptor: EH domain-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Rai, A, Bleimling, N, Vetter, I.R, Goody, R.S.
Deposit date:2020-07-15
Release date:2020-09-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members.
Nat Commun, 11, 2020
6SQ2
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BU of 6sq2 by Molmil
Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RILP-like protein 2, ...
Authors:Khan, A.R, Waschbusch, D.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2
To Be Published
6SIU
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BU of 6siu by Molmil
Crystal structure of IbpAFic2 covalently tethered to Cdc42
Descriptor: Cell division control protein 42 homolog, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gulen, B, Roselin, M, Albers, M, Hedberg, C, Itzen, A, Pogenberg, V.
Deposit date:2019-08-12
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification of targets of AMPylating Fic enzymes by co-substrate-mediated covalent capture.
Nat.Chem., 12, 2020

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