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Structure paper

TitleARHGEF2 PanDDA analysis group deposition
Journal, issue, pagesTo Be Published
Publish dateJun 22, 2023 (structure data deposition date)
AuthorsBradshaw, W.J. / Katis, V.L. / Bountra, C. / von Delft, F. / Brennan, P.E.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.31 - 2.878 Å
Structure data

PDB-7g80:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1041785508
Method: X-RAY DIFFRACTION / Resolution: 1.671 Å

PDB-7g81:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-7g82:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010
Method: X-RAY DIFFRACTION / Resolution: 1.409 Å

PDB-7g83:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-7g84:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527
Method: X-RAY DIFFRACTION / Resolution: 1.811 Å

PDB-7g85:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496
Method: X-RAY DIFFRACTION / Resolution: 1.735 Å

PDB-7g86:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1137725943
Method: X-RAY DIFFRACTION / Resolution: 1.699 Å

PDB-7g87:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148165337
Method: X-RAY DIFFRACTION / Resolution: 2.053 Å

PDB-7g88:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148747945
Method: X-RAY DIFFRACTION / Resolution: 1.869 Å

PDB-7g89:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1192341021
Method: X-RAY DIFFRACTION / Resolution: 1.901 Å

PDB-7g8a:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100642432
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7g8b:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100643660
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-7g8c:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1037511924
Method: X-RAY DIFFRACTION / Resolution: 2.176 Å

PDB-7g8d:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474228
Method: X-RAY DIFFRACTION / Resolution: 1.937 Å

PDB-7g8e:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104479710
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-7g8f:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079168976
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-7g8g:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-7g8h:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198180782
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-7g8i:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198316457
Method: X-RAY DIFFRACTION / Resolution: 2.468 Å

PDB-7g8j:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1216861874
Method: X-RAY DIFFRACTION / Resolution: 1.986 Å

PDB-7g8k:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1217131798
Method: X-RAY DIFFRACTION / Resolution: 1.491 Å

PDB-7g8l:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1251207602
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7g8m:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547
Method: X-RAY DIFFRACTION / Resolution: 2.029 Å

PDB-7g8n:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-7g8o:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1267800292
Method: X-RAY DIFFRACTION / Resolution: 1.579 Å

PDB-7g8p:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269184613
Method: X-RAY DIFFRACTION / Resolution: 2.209 Å

PDB-7g8q:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427
Method: X-RAY DIFFRACTION / Resolution: 1.561 Å

PDB-7g8r:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1270087714
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-7g8s:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1270393711
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7g8t:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142
Method: X-RAY DIFFRACTION / Resolution: 1.385 Å

PDB-7g8u:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z131833926
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-7g8v:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z133716556
Method: X-RAY DIFFRACTION / Resolution: 1.451 Å

PDB-7g8w:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393
Method: X-RAY DIFFRACTION / Resolution: 1.939 Å

PDB-7g8x:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416571195
Method: X-RAY DIFFRACTION / Resolution: 1.711 Å

PDB-7g8y:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7g8z:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027
Method: X-RAY DIFFRACTION / Resolution: 1.509 Å

PDB-7g90:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509195674
Method: X-RAY DIFFRACTION / Resolution: 1.911 Å

PDB-7g91:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509257513
Method: X-RAY DIFFRACTION / Resolution: 2.292 Å

PDB-7g92:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172
Method: X-RAY DIFFRACTION / Resolution: 1.872 Å

PDB-7g93:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1565771450
Method: X-RAY DIFFRACTION / Resolution: 1.693 Å

PDB-7g94:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1575337975
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-7g95:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770
Method: X-RAY DIFFRACTION / Resolution: 1.551 Å

PDB-7g96:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1203730981
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7g97:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z57899718
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7g98:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z4605084898
Method: X-RAY DIFFRACTION / Resolution: 2.878 Å

PDB-7g99:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102102-001
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7g9a:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102113-001
Method: X-RAY DIFFRACTION / Resolution: 2.583 Å

PDB-7g9b:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102116-001
Method: X-RAY DIFFRACTION / Resolution: 2.553 Å

PDB-7g9c:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102141-001
Method: X-RAY DIFFRACTION / Resolution: 2.686 Å

PDB-7g9d:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001
Method: X-RAY DIFFRACTION / Resolution: 2.659 Å

PDB-7g9e:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102197-001
Method: X-RAY DIFFRACTION / Resolution: 2.151 Å

PDB-7g9f:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102209-001
Method: X-RAY DIFFRACTION / Resolution: 1.935 Å

PDB-7g9g:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001
Method: X-RAY DIFFRACTION / Resolution: 2.079 Å

PDB-7g9h:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001
Method: X-RAY DIFFRACTION / Resolution: 2.746 Å

PDB-7g9i:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102253-001
Method: X-RAY DIFFRACTION / Resolution: 2.202 Å

PDB-7g9j:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102281-001
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-K34:
5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-H04:
1-(2-ethoxyphenyl)piperazine

ChemComp-UWS:
6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one

ChemComp-YX2:
3-propanamido-1-benzofuran-2-carboxamide

ChemComp-YX6:
N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide

ChemComp-LXA:
~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide

ChemComp-YXB:
N-[(1H-indol-4-yl)methyl]ethanamine

ChemComp-YG5:
2-(1H-indazol-1-yl)-N,N-dimethylacetamide

ChemComp-WKY:
N-(3-methylpyridin-4-yl)acetamide

ChemComp-ZT7:
1-(5-amino-2H-isoindol-2-yl)ethan-1-one

ChemComp-WJ7:
2-bromo-4-fluoro-N,N-dimethylbenzamide

ChemComp-LFO:
N,1-dimethyl-1H-indole-3-carboxamide

ChemComp-YXO:
1-(difluoromethyl)-1H-indol-5-amine

ChemComp-60P:
3-methylthiophene-2-carboxylic acid

ChemComp-YXH:
1-(1H-benzimidazol-2-yl)methanamine

ChemComp-YXK:
[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile

ChemComp-YXU:
5-methoxy-1H-pyrrolo[3,2-b]pyridine

ChemComp-YXY:
4,4-difluorocyclohexane-1-carboxamide

ChemComp-YYI:
5-(difluoromethoxy)pyridin-2(3H)-one

ChemComp-YZK:
(3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine

ChemComp-RWS:
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine

ChemComp-Z0I:
N-(1H-indol-7-yl)acetamide

ChemComp-Z1L:
1-anilinocyclopropane-1-carboxylic acid

ChemComp-O2A:
N-methyl-1H-indole-7-carboxamide

ChemComp-Z2F:
1,3-benzothiazole-6-sulfonamide

ChemComp-Z2Z:
8-(methanesulfonyl)quinoline

ChemComp-Z5Z:
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

ChemComp-Z5C:
5-(methoxymethyl)-1,2-oxazole-3-carboxamide

ChemComp-Z4X:
2-ethoxy-3-fluoro-N,N-dimethylbenzamide

ChemComp-Z3O:
(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole

ChemComp-Z3H:
N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide

ChemComp-Z6I:
4-(5-methyl-1H-pyrazol-4-yl)piperidine

ChemComp-Z7T:
2-(cyclopentylamino)pyridine-4-carboxamide

ChemComp-WZY:
N-(4-methoxyphenyl)glycinamide

ChemComp-Z9I:
1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine

ChemComp-ZA9:
4-[(3S)-piperidin-3-yl]-1H-indole

ChemComp-ZBH:
(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

ChemComp-LWA:
(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide

ChemComp-VW7:
N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

ChemComp-ZC9:
(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine

ChemComp-W0Y:
N-methyl-4-sulfamoylbenzamide

ChemComp-ZCI:
2-bromo-1H-imidazole

ChemComp-APY:
2-AMINOMETHYL-PYRIDINE

ChemComp-ZDL:
1,3-dimethylimidazolidine

ChemComp-ZE9:
1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one

ChemComp-ZEK:
3-acetamido-N-methylbenzamide

ChemComp-ZG0:
N-(3-methylphenyl)acetamide

ChemComp-ZFI:
N-[2-(methanesulfonyl)phenyl]acetamide

ChemComp-T7Y:
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

ChemComp-ZG6:
N-(3-methyl-1,2-oxazol-5-yl)acetamide

ChemComp-ZGF:
N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide

ChemComp-ZGK:
N-(2-methoxyphenyl)acetamide

ChemComp-KLU:
(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

ChemComp-ZGQ:
N-[(2-methylphenyl)methyl]acetamide

ChemComp-ZGX:
1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one

Source
  • homo sapiens (human)
KeywordsCYTOSOLIC PROTEIN / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer

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