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5HZI
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BU of 5hzi by Molmil
Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZJ
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BU of 5hzj by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZK
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BU of 5hzk by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5JHH
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BU of 5jhh by Molmil
Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11
Descriptor: 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ...
Authors:Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F.
Deposit date:2016-04-21
Release date:2017-04-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF
To Be Published
5JHG
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BU of 5jhg by Molmil
Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11
Descriptor: GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA
Authors:Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F.
Deposit date:2016-04-21
Release date:2017-04-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11
To Be Published
5O33
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BU of 5o33 by Molmil
A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Kalirin, ...
Authors:Gray, J, Krojer, T, Talon, R, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F.
Deposit date:2017-05-23
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
To Be Published
5N6R
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BU of 5n6r by Molmil
Solution structure of the Dbl-homology domain of Bcr-Abl
Descriptor: Breakpoint cluster region protein
Authors:Reckel, S, Lohr, F, Buchner, L, Guntert, P, Dotsch, V, Hantschel, O.
Deposit date:2017-02-16
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase.
Nat Commun, 8, 2017
5N7E
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BU of 5n7e by Molmil
Crystal structure of the Dbl-homology domain of Bcr-Abl in complex with monobody Mb(Bcr-DH_4).
Descriptor: Breakpoint cluster region protein, Mb(Bcr-DH_4)
Authors:Reckel, S, Reynaud, A, Pojer, F, Hantschel, O.
Deposit date:2017-02-20
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase.
Nat Commun, 8, 2017
6D8Z
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BU of 6d8z by Molmil
Crystal Structure of the C-terminal Guanine Nucleotide Exchange Factor Module of Human Trio
Descriptor: Triple functional domain protein
Authors:Bandekar, S, Tesmer, J.J.
Deposit date:2018-04-27
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the C-terminal guanine nucleotide exchange factor module of Trio in an autoinhibited conformation reveals its oncogenic potential.
Sci Signal, 12, 2019
6PCV
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BU of 6pcv by Molmil
Single Particle Reconstruction of Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1 bound to G protein beta gamma subunits
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1
Authors:Cash, J.N, Cianfrocco, M.A, Tesmer, J.J.G.
Deposit date:2019-06-18
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-electron microscopy structure and analysis of the P-Rex1-G beta gamma signaling scaffold.
Sci Adv, 5, 2019
5QQN
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BU of 5qqn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-010-382-606
Descriptor: 1,2-ETHANEDIOL, Kalirin, N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide, ...
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
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
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
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
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
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
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
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
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
6NEW
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BU of 6new by Molmil
Apo structure of the activated truncation of Vav1
Descriptor: Proto-oncogene vav, ZINC ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NF1
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BU of 6nf1 by Molmil
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Descriptor: (2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proto-oncogene vav, ...
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NFA
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BU of 6nfa by Molmil
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Descriptor: (2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol, Proto-oncogene vav, ZINC ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-19
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6L30
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BU of 6l30 by Molmil
Crystal structure of the epithelial cell transforming 2 (ECT2)
Descriptor: Protein ECT2
Authors:Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P.
Deposit date:2019-10-07
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020

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