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Structure paper

TitleEPB41L3 PanDDA analysis group deposition
Journal, issue, pagesTo Be Published
Publish dateOct 30, 2020 (structure data deposition date)
AuthorsBradshaw, W.J. / Katis, V.L. / Newman, J.A. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Gileadi, O.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.58 - 2.09 Å
Structure data

PDB-5rym:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z31217395
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5ryn:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1545312521
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5ryo:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z136583524
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5ryp:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1929757385
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5ryq:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57258487
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5ryr:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z104584152
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-5rys:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1593306637
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5ryt:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z54226006
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-5ryu:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1545196403
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5ryv:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1373430305
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5ryw:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434829
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5ryx:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2234920345
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5ryy:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57257264
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5ryz:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434868
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5rz0:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1497321453
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5rz1:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z27682767
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5rz2:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z68277692
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-5rz3:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1259341037
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5rz4:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434909
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5rz5:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434851
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5rz6:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434944
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5rz7:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57472297
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-5rz8:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1263714198
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5rz9:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z943693514
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-5rza:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z729352906
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-5rzb:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z271004858
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-5rzc:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z300245038
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5rzd:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z198194394
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-5rze:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434786
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5rzf:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57040482
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-5rzg:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z133729708
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5rzh:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434890
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5rzi:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z48852953
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-5rzj:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434938
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5rzk:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1266823232
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-5rzl:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1492796719
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5rzm:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434815
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5rzn:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1745658474
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-5rzo:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434925
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-5rzp:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z33546965
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5rzq:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z100642432
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5rzr:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z53825177
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-5rzs:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1703168683
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5rzt:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z763030030
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-5rzu:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z32400357
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5rzv:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z31504642
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5rzw:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2574937229
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5rzx:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434814
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5rzy:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z219104216
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5rzz:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1551999220
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-5s00:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434793
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

Chemicals

ChemComp-HGE:
ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-NTV:
(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

ChemComp-NU4:
2-methyl-N-(pyridin-4-yl)furan-3-carboxamide

ChemComp-WGM:
(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol

ChemComp-NVD:
N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

ChemComp-WGP:
N,N-dimethyl-N~2~-phenylglycinamide

ChemComp-H0D:
N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea

ChemComp-NX7:
(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone

ChemComp-UWV:
2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline

ChemComp-WGS:
3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine

ChemComp-ELQ:
[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone

ChemComp-VZS:
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea

ChemComp-WGV:
1-(3-phenylprop-2-yn-1-yl)piperidine

ChemComp-NVY:
1-ethyl-N-(2-fluorophenyl)piperidin-4-amine

ChemComp-K0A:
(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone

ChemComp-WGY:
N-(4-sulfamoylphenyl)propanamide

ChemComp-WH1:
N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide

ChemComp-WH4:
N-(propan-2-yl)pyridin-3-amine

ChemComp-WH7:
(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol

ChemComp-WHD:
4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile

ChemComp-AWD:
~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide

ChemComp-AYV:
1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

ChemComp-WHG:
1-[(1,2-oxazol-3-yl)methyl]piperazine

ChemComp-GT4:
~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide

ChemComp-WHM:
2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

ChemComp-SFY:
4-amino-N-(pyridin-2-yl)benzenesulfonamide / medication, antibiotic*YM

ChemComp-O0P:
N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide

ChemComp-O1M:
4-(4-fluorophenyl)piperazine-1-carboxamide

ChemComp-RYP:
~{N}-methyl-1-pyridin-4-yl-methanamine

ChemComp-9KS:
N-(2-hydroxyphenyl)acetamide

ChemComp-WHP:
N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide

ChemComp-NZD:
4-methyl-N-phenylpiperazine-1-carboxamide

ChemComp-WHS:
4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine

ChemComp-7ZC:
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine

ChemComp-WHV:
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine

ChemComp-S7G:
~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide

ChemComp-WHY:
4-[(dimethylamino)methyl]benzonitrile

ChemComp-S7J:
2-(trifluoromethyl)pyrimidine-5-carboxamide

ChemComp-WJ4:
4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine

ChemComp-ONQ:
~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

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

ChemComp-VVG:
N-(2-fluorophenyl)ethanesulfonamide

ChemComp-UR7:
1-(3-fluoro-4-methylphenyl)methanesulfonamide

ChemComp-WJA:
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

ChemComp-NZJ:
1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide

ChemComp-WJD:
2-methoxy-N-phenylacetamide

ChemComp-WJG:
(S)-1-(4-methoxyphenyl)-1-phenylmethanamine

ChemComp-O0Y:
3-(diethylamino)phenol

ChemComp-RZS:
6-(ethylamino)pyridine-3-carbonitrile

ChemComp-WJJ:
(2R)-3-(4-bromophenyl)-2-methylpropanamide

ChemComp-WJM:
2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

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

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