Author results

1KWA
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HUMAN CASK/LIN-2 PDZ DOMAIN
Descriptor:HCASK/LIN-2 PROTEIN, SULFATE ION
Authors:Daniels, D.L., Cohen, A.R., Anderson, J.M., Brunger, A.T.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition
Nat.Struct.Biol., 5, 1998
1M1E
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BETA-CATENIN ARMADILLO REPEAT DOMAIN BOUND TO ICAT
Descriptor:Beta-catenin, ICAT
Authors:Daniels, D.L., Weis, W.I.
Deposit date:2002-06-18
Release date:2002-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ICAT inhibits Beta-catenin binding to Tcf/Lef-family transcription factors and the general coactivator p300 using independent structural modules.
Mol.Cell, 10, 2002
4KRR
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CRYSTAL STRUCTURE OF DROSOPHILA WNTD N-TERMINAL DOMAIN-LINKER (RESIDUES 31-240)
Descriptor:Wnt inhibitor of Dorsal protein, GLYCEROL, SODIUM ION
Authors:Chu, M.L.-H., Choi, H.-J., Ahn, V.E., Daniels, D.L., Nusse, R., Weis, W.I.
Deposit date:2013-05-16
Release date:2013-07-10
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Structural Studies of Wnts and Identification of an LRP6 Binding Site.
Structure, 21, 2013
5AD2
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BIVALENT BINDING TO BET BROMODOMAINS
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone
Authors:Waring, M.J., Chen, H., Rabow, A.A., Walker, G., Bobby, R., Boiko, S., Bradbury, R.H., Callis, R., Dale, I., Daniels, D., Flavell, L., Holdgate, G., Jowitt, T.A., Kikhney, A., McAlister, M., Ogg, D., Patel, J., Petteruti, P., Robb, G.R., Robers, M., Stratton, N., Svergun, D.I., Wang, W., Whittaker, D.
Deposit date:2015-08-19
Release date:2016-09-28
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
5AD3
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BIVALENT BINDING TO BET BROMODOMAINS
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Authors:Waring, M.J., Chen, H., Rabow, A.A., Walker, G., Bobby, R., Boiko, S., Bradbury, R.H., Callis, R., Dale, I., Daniels, D., Flavell, L., Holdgate, G., Jowitt, T.A., Kikhney, A., McAlister, M., Ogg, D., Patel, J., Petteruti, P., Robb, G.R., Robers, M., Stratton, N., Svergun, D.I., Wang, W., Whittaker, D.
Deposit date:2015-08-19
Release date:2016-09-28
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
4XY8
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF BRD9 IN COMPLEX WITH A 2-AMINE-9H-PURINE LIGAND
Descriptor:Bromodomain-containing protein 9, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, BROMIDE ION
Authors:Picaud, S., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4XY9
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-AMINE-9H-PURINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine
Authors:Picaud, S., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4XYA
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-AMINE-9H-PURINE LIGAND
Descriptor:Bromodomain-containing protein 4, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, 1,2-ETHANEDIOL
Authors:Picaud, S., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4Z6H
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CRYSTAL STRUCTURE OF BRD9 BROMODOMAIN IN COMPLEX WITH A VALEROLACTAM QUINOLONE LIGAND
Descriptor:Bromodomain-containing protein 9, 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one
Authors:Tallant, C., Structural Genomics Consortium (SGC), Clark, P.G.K., Vieira, L.C.C., Krojer, T., Nunez-Alonso, G., Picaud, S., Fedorov, O., Dixon, D.J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brennan, P.E., Knapp, S.
Deposit date:2015-04-05
Release date:2015-05-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Z6I
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CRYSTAL STRUCTURE OF BRD9 BROMODOMAIN IN COMPLEX WITH A SUBSTITUTED VALEROLACTAM QUINOLONE LIGAND
Descriptor:Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
Authors:Tallant, C., Structural Genomics Consortium (SGC), Clark, P.G.K., Vieira, L.C.C., Newman, J.A., Krojer, T., Nunez-Alonso, G., Picaud, S., Fedorov, O., Dixon, D.J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brennan, P.E., Knapp, S.
Deposit date:2015-04-05
Release date:2015-05-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
4ZQL
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CRYSTAL STRUCTURE OF TRIM24 WITH 3,4-DIMETHOXY-N-(6-(4-METHOXYPHENOXY)-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)BENZENESULFONAMIDE INHIBITOR
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, SULFATE ION, ...
Authors:Tallant, C., Structural Genomics Consortium (SGC), Clark, P.G.K., Vieira, L.C.C., Krojer, T., Nunez-Alonso, G., Picaud, S., Fedorov, O., Dixon, D.J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brennan, P.E., Knapp, S.
Deposit date:2015-05-10
Release date:2015-06-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
6HM0
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CRYSTAL STRUCTURE OF HUMAN BRD9 BROMODOMAIN IN COMPLEX WITH A PROTAC
Descriptor:Bromodomain-containing protein 9, (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Authors:Hughes, S.J., Zoppi, V., Ciulli, A.
Deposit date:2018-09-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iterative design and optimization of initially inactive Proteolysis Targeting Chimeras (PROTACs) identify VZ185 as a potent, fast and selective von Hippel-Lindau (VHL)-based dual degrader probe of BRD9 and BRD7.
J. Med. Chem., 2018
1BE9
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THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT.
Descriptor:PSD-95, CRIPT
Authors:Doyle, D.A., Lee, A., Lewis, J., Kim, E., Sheng, M., Mackinnon, R.
Deposit date:1998-05-20
Release date:1998-10-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
1BFE
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THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95
Descriptor:PSD-95
Authors:Doyle, D.A., Lee, A., Lewis, J., Kim, E., Sheng, M., Mackinnon, R.
Deposit date:1998-05-20
Release date:1998-10-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
1DO0
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ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor:PROTEIN (HEAT SHOCK LOCUS U), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bochtler, M., Hartmann, C., Song, H.K., Bourenkov, G.P., Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1DO2
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TRIGONAL CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor:PROTEIN (HEAT SHOCK LOCUS U), PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Bochtler, M., Hartmann, C., Song, H.K., Bourenkov, G.P., Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1E94
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HSLV-HSLU FROM E.COLI
Descriptor:HEAT SHOCK PROTEIN HSLV, HEAT SHOCK PROTEIN HSLU, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Song, H.K., Hartmann, C., Ravishankar, R., Bochtler, M.
Deposit date:2000-10-07
Release date:2000-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutational Studies on Hslu and its Docking Mode with Hslv
Proc.Natl.Acad.Sci.USA, 97, 2000
1G9O
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FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR
Descriptor:NHE-RF
Authors:Karthikeyan, S., Leung, T., Birrane, G., Webster, G., Ladias, J.A.A.
Deposit date:2000-11-26
Release date:2001-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains.
J.Mol.Biol., 308, 2001