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Structure methods
Author
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IF

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Structure paper

TitleFragment screen against ABLE
Journal, issue, pagesTo be published
Publish dateOct 8, 2024 (structure data deposition date)
AuthorsCorrey, G.J. / Fraser, J.S.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.3 - 1.95 Å
Structure data

PDB-7hiy:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000058111
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-7hiz:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000008579298
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-7hj0:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000006657973
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-7hj1:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000084843283
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hj2:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000388063
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hj3:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000002941706
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-7hj4:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000162015
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-7hj5:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000001612349
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hj6:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000004271832
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hj7:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000403990
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hj8:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000270975
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7hj9:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000155614
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7hja:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000156865
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7hjb:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000154564
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hjc:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000004219237
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hjd:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000164504
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hje:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000002567980
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7hjf:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000012370416
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hjg:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000001394131
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-7hjh:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000159056
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hji:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000404314
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hjj:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000158815
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7hjk:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000002583439
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7hjl:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000165667
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hjm:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000163774
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hjn:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000077278
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-7hjo:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000020269197
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7hjp:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000037405164
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hjq:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000017744334
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hjr:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000042783023
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hjs:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000109930
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-7hjt:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000098208711
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hju:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000039132637
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7hjv:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000173360
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hjw:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000002571408
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hjx:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000066090
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hjy:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000389796
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hjz:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000016697555
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hk0:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000004774482
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7hk1:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000107891
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hk2:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000034687
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hk3:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000053963
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7hk4:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000038866729
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-9dw2:
Crystal structure of ABLE, 10% DMSO soak
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-9dwa:
Crystal structure of FABLE, MPD condition
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-9dwb:
Crystal structure of FABLE, PEG 400 condition
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-9dwc:
Crystal structure of FABLE, PEG 600 condition
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

Chemicals

ChemComp-07L:
7-hydroxy-2H-chromen-2-one

ChemComp-HOH:
WATER

ChemComp-OCH:
QUINOLIN-2(1H)-ONE

ChemComp-5GT:
7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one

ChemComp-CLW:
CHLORZOXAZONE

ChemComp-Z82:
4-bromobenzoic acid

ChemComp-4JE:
4-propylbenzenesulfonamide

ChemComp-MWP:
1-benzothiophen-6-amine 1,1-dioxide

ChemComp-4JQ:
6-amino-2H-chromen-2-one

ChemComp-DBJ:
2,3-dihydro-1,4-benzodioxin-5-ylmethanol

ChemComp-4JC:
4-ethylbenzenesulfonamide

ChemComp-M4S:
4-methoxybenzenesulfonamide

ChemComp-FBV:
2-fluorobenzenesulfonamide

ChemComp-174:
4-CHLORO-BENZOIC ACID

ChemComp-HCI:
HYDROCINNAMIC ACID

ChemComp-6U6:
3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid

ChemComp-BZX:
1,3-benzodioxol-5-ol / antiinflammatory, antidepressant*YM

ChemComp-IEJ:
O-TOLUENESULFONAMIDE

ChemComp-54F:
3-(pyridin-2-yloxy)aniline

ChemComp-0NX:
(5-phenyl-1,2-oxazol-3-yl)methanol

ChemComp-1FF:
1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid

ChemComp-2SX:
(5-bromo-1H-indol-3-yl)acetic acid

ChemComp-9FH:
5-methyl-1-phenyl-pyrazole-4-carboxylic acid

ChemComp-22F:
(4-fluorophenyl)(pyridin-4-yl)methanone

ChemComp-5RG:
2-amino-5-fluorobenzoic acid

ChemComp-5ZE:
4,6-dimethylpyrimidin-2-amine

PDB-1bc2:
ZN-DEPENDENT METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS

ChemComp-WB1:
6-methyl-1H-indole-3-carboxylic acid

PDB-1bc3:
RECOMBINANT RAT ANNEXIN V, TRIPLE MUTANT (T72K, S144K, S228K)

ChemComp-FBB:
6-fluoro-1,3-benzothiazol-2-amine

ChemComp-80Q:
2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine

ChemComp-DEE:
3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

ChemComp-BXW:
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid

ChemComp-EVH:
1H-imidazole-2-sulfonamide

ChemComp-PYQ:
PYROQUILON

ChemComp-FBS:
4-FLUOROBENZENESULFONAMIDE

ChemComp-MSR:
4-(1H-IMIDAZOL-1-YL)PHENOL

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

ChemComp-FA0:
2-amino-4-fluorobenzoic acid

ChemComp-LVF:
2-(5-chloranyl-1H-indol-3-yl)ethanenitrile

PDB-1h0m:
Three-dimensional structure of the quorum sensing protein TraR bound to its autoinducer and to its target DNA

ChemComp-NUK:
thieno[3,2-b]thiophene-5-carboxylic acid

ChemComp-DFA:
DIPHENYLACETIC ACID

ChemComp-BZ2:
1-benzofuran-2-carboxylic acid

ChemComp-5LA:
2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / Protein design / four-helix bundle / apixaban

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