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Structure paper

TitleXChem group deposition
Journal, issue, pagesTo Be Published
Publish dateFeb 29, 2020 (structure data deposition date)
AuthorsKrojer, T. / Talon, R. / Fairhead, M. / Szykowska, A. / Burgess-Brown, N.A. / Brennan, P.E. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / von Delft, F.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.18 - 1.83 Å
Structure data

PDB-5r68:
XChem group deposition -- Crystal Structure of human YEATS4 in complex with FM000199e
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5r69:
XChem group deposition -- Crystal Structure of human YEATS4 in complex with XS038644e
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-5s75:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s76:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s77:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s78:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s79:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5s7a:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7b:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-5s7c:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7d:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010923a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7e:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-5s7f:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7g:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-5s7h:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7i:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7j:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7k:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010936a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7l:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010943a
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-5s7m:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-5s7n:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7o:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-5s7p:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7q:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-5s7r:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-5s7s:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7t:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7u:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-5s7v:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010942a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s7w:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-5s7x:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s7y:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-5s7z:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s80:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5s81:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-5s82:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5s83:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010948a
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-5s84:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-5s85:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-5s86:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s87:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s88:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010954a
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s89:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s8a:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s8b:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5s8c:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-5s8d:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00539e (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-5s8e:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00531b (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-5s8f:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00572d (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.18 Å

PDB-5s8g:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00804d (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.19 Å

PDB-5s8h:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00964e (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-5s8i:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01186d (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s8j:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01207d (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.21 Å

PDB-5s8k:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01225c (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-5s8l:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-5s8m:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N11511a (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5s8n:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group C2)
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-5s8o:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01460c (space group P212121)
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5s8p:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group P212121)
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-5s8q:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with FMO3D000185a (space group P212121)
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5s9k:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010955a
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-RYD:
(1-methylbenzotriazol-5-yl)methanol

ChemComp-HOH:
WATER

ChemComp-ZHA:
~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide

ChemComp-LU8:
4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine

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

ChemComp-SRT:
S,R MESO-TARTARIC ACID

ChemComp-HUH:
1~{H}-1,2,3-triazole

ChemComp-SO4:
SULFATE ION

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-02A:
(2S)-azetidine-2-carboxylic acid

ChemComp-BAQ:
pyrrolidin-2-one

ChemComp-XGV:
pyridazin-3-amine

ChemComp-PZO:
PYRAZOLE

ChemComp-T5V:
pyrimidin-5-amine

ChemComp-XH7:
(3R)-thiolane-3-carboxylic acid

ChemComp-TAR:
D(-)-TARTARIC ACID

ChemComp-T5Y:
pyridin-2-ol

ChemComp-XHD:
2-cyanoacetamide

ChemComp-XEA:
(3R)-1,2-oxazolidine-3-carbonitrile

ChemComp-XH4:
[(3R)-pyrazolidin-3-yl]methanol

ChemComp-PPI:
PROPANOIC ACID

ChemComp-HVB:
1-azanylpropylideneazanium

ChemComp-HV2:
1,1-bis(oxidanylidene)thietan-3-ol

ChemComp-XHG:
1-[(2R)-oxolan-2-yl]methanamine

ChemComp-XEJ:
(3R)-3-aminobutanamide

ChemComp-XHJ:
(3S)-pyrazolidin-3-amine

ChemComp-HVK:
pyridin-2-amine

ChemComp-2AI:
1H-imidazol-2-amine

ChemComp-XJJ:
piperazin-2-one

ChemComp-V1L:
piperidin-2-one

ChemComp-XJM:
5-methyl-1H-tetrazole

ChemComp-XGS:
1lambda~6~,2-thiazetidine-1,1-dione

ChemComp-09V:
cyclopropylmethanol

ChemComp-XGJ:
(3S)-1,2,4-triazolidin-3-amine

ChemComp-XGY:
(4S)-1-methylimidazolidin-4-amine

ChemComp-XH1:
N-propan-2-ylurea

ChemComp-GLY:
GLYCINE

ChemComp-LGA:
PYRIMIDIN-2-AMINE

ChemComp-XJP:
(2S,4R)-1,3-thiazolidine-2,4-diamine

ChemComp-BYZ:
4-bromo-1H-pyrazole

ChemComp-XGM:
N-hydroxypropanamide

ChemComp-XJV:
imidazolidin-2-one

ChemComp-LAC:
LACTIC ACID

ChemComp-XJY:
cyclobutylboronic acid

ChemComp-XK1:
1-[(4R)-1,3-oxazolidin-4-yl]methanamine

ChemComp-XK4:
(3R)-1,2-oxazolidin-3-amine

ChemComp-XK7:
1-aminocyclopropane-1-carboxamide

ChemComp-XKD:
N-methyl-D-alaninamide

ChemComp-XKS:
azetidin-3-ol

ChemComp-XKV:
(2R)-2-aminobutanamide

ChemComp-XKY:
(4S)-imidazolidine-4-carbonitrile

ChemComp-XFV:
1lambda~6~-thietane-1,1-dione

ChemComp-N1E:
methyl quinoline-6-carboxylate

ChemComp-5WY:
2,3-dihydro-1,4-benzodioxine-5-carboxamide

ChemComp-XLP:
1,3-benzothiazole-6-carboxylic acid

ChemComp-D4V:
3-methylpyridin-2-ol

ChemComp-2LY:
N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

ChemComp-54Y:
5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide

ChemComp-XLV:
3,4-dimethyl-1,2-oxazol-5-amine

ChemComp-12Q:
1-METHYLQUINOLIN-2(1H)-ONE

ChemComp-1BN:
1-BENZYL-1H-IMIDAZOLE

ChemComp-3PF:
3-methyl-3,4-dihydroquinazolin-2(1H)-one

ChemComp-XM4:
N-(4-chloro-2-methylphenyl)acetamide

ChemComp-CA:
Unknown entry

ChemComp-XLY:
(3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one

ChemComp-YV4:
(3S)-3-aminopyrrolidin-2-one

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer / HISTONE READER / YEATS DOMAIN / TRANSFERASE / SIGNALING PROTEIN / bromodomain / PHIP

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