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Structure paper

TitlePanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
Journal, issue, pagesTo Be Published
Publish dateMay 15, 2018 (structure data deposition date)
AuthorsKrojer, T. / Talon, R. / Fairhead, M. / Diaz Saez, L. / Bradley, A.R. / Aimon, A. / Collins, P. / Brandao-Neto, J. / Douangamath, A. / Ruda, G.F. ...Krojer, T. / Talon, R. / Fairhead, M. / Diaz Saez, L. / Bradley, A.R. / Aimon, A. / Collins, P. / Brandao-Neto, J. / Douangamath, A. / Ruda, G.F. / Szommer, T. / Srikannathasan, V. / Elkins, J. / Spencer, J. / London, N. / Nelson, A. / Brennan, P.E. / Huber, K. / Bountra, C. / Arrowsmith, C.H. / Edwards, A. / von Delft, F.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.05 - 2.27 Å
Structure data

PDB-5qgg:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000693a
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-5qgh:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000420a
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-5qgi:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000710a
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5qgj:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000706a
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5qgk:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000679a
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-5qgl:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000275a
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-5qgm:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-160
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-5qgn:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-210
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5qgo:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-220
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-5qgp:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-221
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-5qgq:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-65
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5qgr:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000022a
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-5qgs:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000476a
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-5qgt:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000609a
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-5qgu:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000747a
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5qgv:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with UNUYB062989
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-5qgw:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000154
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-5qgx:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000155
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5qgy:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000158
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-5qgz:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000161
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5qh0:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000180
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5qh1:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000181
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5qh2:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000188
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5qh3:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000191
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5qh4:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000220a
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5qh5:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000224a
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5qh6:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000259a
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5qh7:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000194a
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5qh8:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102558
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5qh9:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102716
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-5qhb:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-332
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5qhc:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-337
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-5qhe:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-350
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5qhf:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000301a
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5qhg:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NU000442a
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-5qhh:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NU000443a
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5qhi:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000271a
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-5qhj:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000709a
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5qhk:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5qhl:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000551a
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5qhm:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with OX-145
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-5qhn:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000622a
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-5qho:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5qhp:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000554a
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-5qhq:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000574a
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-5qhr:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5qhs:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FF000014a
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5qhu:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMSOA000341b
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5qhw:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000347a
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

PDB-5qhx:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

PDB-5qhy:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000462a
Method: X-RAY DIFFRACTION / Resolution: 1.17 Å

PDB-5qhz:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000385a
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-5qi0:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000352a
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5qi1:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5qi2:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000110a
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-5qi3:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000475a
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5qi5:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000633a
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5qi7:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000506a
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5qia:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-5qib:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

PDB-5qic:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z30620520
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

PDB-5qid:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-5qie:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

PDB-5qif:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z31792168
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5qig:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1407672867
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-5qih:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2697514548
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-5qj4:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1827602749
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-5qj6:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1614545742
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5qj7:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z32327641
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-5qj8:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2856434829
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-5qj9:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z768399682
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5qja:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1497321453
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5qjb:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1787627869
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5qjc:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z755044716
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-5qjd:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z240297434
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5qje:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z275181224
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5qjf:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z52425517
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5qjg:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44567722
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5qjh:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z375990520
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-5qji:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1899842917
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5qjj:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z24758179
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5qjk:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z373221060
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5qjl:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z56983806
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5qjm:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z328695024
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5qjn:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1439422127
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-5qjo:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z57292369
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5qjp:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1578665941
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5qjq:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z56791867
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-5qjr:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z220816104
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5qjs:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z979145504
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5qjt:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z969560582
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5qju:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z906021418
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-5qjv:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z281802060
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5qjw:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z198194396
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5qjx:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2856434778
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-5qjy:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z94597856
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-5qjz:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1696822287
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5qk0:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1270312110
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-5qk1:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2027049478
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-5qk2:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z54628578
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5qk3:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z239136710
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5qk4:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44590919
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5qk5:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1267773786
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5qk6:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1343633025
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-5qk7:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1918536193
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5qk8:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1271660837
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5qk9:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z102895082
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-5qka:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2377835233
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-ACT:
ACETATE ION

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

ChemComp-H2G:
(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol

ChemComp-HOH:
WATER

ChemComp-H2D:
(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide

ChemComp-B0V:
2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

ChemComp-H1A:
2-ethyl-N-(2-hydroxyphenyl)butanamide

ChemComp-H0S:
N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChemComp-H5A:
3,4,5-trimethoxybenzoic acid

ChemComp-H4Y:
1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

ChemComp-H4D:
3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid

ChemComp-H4A:
(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

ChemComp-H3Y:
(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

ChemComp-H3J:
3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one

ChemComp-H0J:
5-(pyridin-2-yl)thiophene-2-carbothioamide

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

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

ChemComp-H3G:
(4-tert-butylpiperidin-1-yl)(phenyl)methanone

ChemComp-H3A:
N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide

ChemComp-H2Y:
2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide

ChemComp-H2J:
N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide

ChemComp-H1Y:
N-(3-chlorophenyl)-2-phenylacetamide

ChemComp-H1J:
N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide

ChemComp-H0P:
2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide

ChemComp-H5G:
N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide

ChemComp-H54:
2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide

ChemComp-H4G:
2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide

ChemComp-H47:
2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide

ChemComp-H3V:
N-(1,2-oxazol-3-yl)-2-phenylacetamide

ChemComp-H0M:
2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide

ChemComp-H0G:
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide

ChemComp-H0A:
1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one

ChemComp-GZY:
1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

ChemComp-H31:
1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

ChemComp-H2M:
1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one

ChemComp-H1P:
1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one

ChemComp-H1G:
2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide

ChemComp-H17:
2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide

ChemComp-H5D:
2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide

ChemComp-IOD:
IODIDE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOJ:
ethyl 1~{H}-pyrazole-4-carboxylate

ChemComp-GOV:
(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol

ChemComp-GOY:
di(piperidin-1-yl)methanone

ChemComp-GQ7:
[5-(4-aminophenyl)furan-2-yl]methanol

ChemComp-GQA:
1-methyl-3-oxidanyl-pyridine-2-thione

ChemComp-GQJ:
methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

ChemComp-GQM:
5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol

ChemComp-GQP:
1-[(4-fluorophenyl)methyl]benzimidazole

ChemComp-GQS:
N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine

ChemComp-GQV:
1-methyl-3-oxidanyl-pyridin-2-one

ChemComp-CL:
Unknown entry

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

ChemComp-GRV:
2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

ChemComp-GRY:
~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

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

ChemComp-GT7:
2-cyano-~{N}-cyclohexyl-ethanamide

ChemComp-GTJ:
~{N}-(1-propylbenzimidazol-2-yl)propanamide

ChemComp-GUG:
~{N}-propan-2-ylquinoline-2-carboxamide

ChemComp-GUV:
1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea

ChemComp-GUY:
~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide

ChemComp-GV4:
2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide

ChemComp-GVV:
~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide

ChemComp-GWA:
~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide

ChemComp-FNR:
1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL

ChemComp-GX7:
5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-GX4:
cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

ChemComp-GWY:
5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine

ChemComp-GWV:
~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline

ChemComp-GWS:
2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide

ChemComp-GWP:
2-cyclopropyl-1~{H}-imidazole-4-carboxamide

ChemComp-GWG:
1-methylindazole-3-carboxamide

ChemComp-MG:
Unknown entry

ChemComp-K04:
(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)

ChemComp-JMM:
[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone

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

ChemComp-K0D:
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone

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

ChemComp-K07:
5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine

ChemComp-K0J:
N-ethyl-1H-1,2,3-triazole-4-carboxamide

ChemComp-K0M:
3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

ChemComp-K0P:
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide

ChemComp-K0S:
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

ChemComp-K0V:
methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

ChemComp-K0Y:
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate

ChemComp-K1A:
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one

ChemComp-6SU:
methyl 3-(methylsulfonylamino)benzoate

ChemComp-K1D:
6-(azetidin-1-yl)-9H-purine

ChemComp-JJM:
1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChemComp-K1G:
N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChemComp-K1J:
(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

ChemComp-K41:
2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide

ChemComp-K1P:
1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane

ChemComp-K1S:
N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine / antagonist*YM

ChemComp-K1V:
(3R)-1-acetylpiperidine-3-carboxamide

ChemComp-K1Y:
methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate

ChemComp-K24:
N,2-dimethyl-1,3-thiazole-5-carboxamide

ChemComp-K2G:
5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide

ChemComp-K2J:
4-methoxy-N-methylpyrimidin-2-amine

ChemComp-K2M:
4-(furan-2-carbonyl)piperazine-1-carboxamide

ChemComp-K2P:
2-(trifluoromethoxy)benzoic acid

ChemComp-K2S:
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide

ChemComp-K2V:
(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine

ChemComp-K31:
2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline

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

ChemComp-JH4:
N-methylpyrimidin-2-amine

ChemComp-K3A:
N-(5-methyl-1H-pyrazol-3-yl)acetamide

ChemComp-K3D:
4-acetyl-N-ethylpiperazine-1-carboxamide

ChemComp-K3J:
N-ethyl-6-methylpyridazin-3-amine

ChemComp-K3M:
2-fluoro-4-methylbenzamide

ChemComp-K3P:
5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine

ChemComp-K3S:
N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine

ChemComp-K3V:
7,8-dimethoxyphthalazin-1(2H)-one

ChemComp-K3Y:
1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PanDDA / SGC - Diamond I04-1 fragment screening / NUDIX domain / XChemExplorer / PROTEIN BINDING / DUF1669 domain / TRANSFERASE / macrodomain / OXIDOREDUCTASE / HAO1 / NUDT5

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