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1YPT
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CRYSTAL STRUCTURE OF YERSINIA PROTEIN TYROSINE PHOSPHATASE AT 2.5 ANGSTROMS AND THE COMPLEX WITH TUNGSTATE
Descriptor:PROTEIN-TYROSINE PHOSPHATASE YERSINIA (CATALYTIC DOMAIN)
Authors:Stuckey, J.A., Schubert, H.L., Fauman, E.B., Zhang, Z.-Y., Dixon, J.E., Saper, M.A.
Deposit date:1994-09-16
Release date:1994-12-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Yersinia protein tyrosine phosphatase at 2.5 A and the complex with tungstate.
Nature, 370, 1994
1BYR
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CRYSTAL STRUCTURE OF A PHOSPHOLIPASE D FAMILY MEMBER, NUC FROM SALMONELLA TYPHIMURIUM
Descriptor:PROTEIN (ENDONUCLEASE)
Authors:Stuckey, J.A., Dixon, J.E.
Deposit date:1998-10-19
Release date:1999-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a phospholipase D family member.
Nat.Struct.Biol., 6, 1999
1BYS
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CRYSTAL STRUCTURE OF NUC COMPLEXED WITH TUNGSTATE
Descriptor:PROTEIN (ENDONUCLEASE), TUNGSTATE(VI)ION
Authors:Stuckey, J.A., Dixon, J.E.
Deposit date:1998-10-19
Release date:1999-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a phospholipase D family member.
Nat.Struct.Biol., 6, 1999
4G8O
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CRYSTAL STRUCTURE OF A NOVEL SMALL MOLECULE INACTIVATOR BOUND TO PLASMINOGEN ACTIVATOR INHIBITOR-1
Descriptor:Plasminogen activator inhibitor 1, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Stuckey, J.A., Lawrence, D.A., Li, S.-H.
Deposit date:2012-07-23
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G8R
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CRYSTAL STRUCTURE OF A NOVEL SMALL MOLECULE INACTIVATOR BOUND TO PLASMINOGEN ACTIVATOR INHIBITOR-1
Descriptor:Plasminogen activator inhibitor-1, SULFATE ION, (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
Authors:Stuckey, J.A., Lawrence, D.A., Li, S.-H.
Deposit date:2012-07-23
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4YQM
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GLUTATHIONE S-TRANSFERASE OMEGA 1 BOUND TO COVALENT INHIBITOR C1-27
Descriptor:Glutathione S-transferase omega-1, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-10-12
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
4YQU
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GLUTATHIONE S-TRANSFERASE OMEGA 1 BOUND TO COVALENT INHIBITOR C1-31
Descriptor:Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-10-12
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
4YQV
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GLUTATHIONE S-TRANSFERASE OMEGA 1 BOUND TO COVALENT INHIBITOR C4-10
Descriptor:Glutathione S-transferase omega-1, 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
Authors:Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-10-12
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
5SYM
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COCRYSTAL STRUCTURE OF THE HUMAN ACYL PROTEIN THIOESTERASE 1 WITH AN ISOFORM-SELECTIVE INHIBITOR, ML348
Descriptor:Acyl-protein thioesterase 1, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide, 1,2-ETHANEDIOL, ...
Authors:Stuckey, J.A., Labby, K.J., Meagher, J.L., Won, S.J., Martin, B.R.
Deposit date:2016-08-11
Release date:2016-10-26
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).
ACS Chem. Biol., 11, 2016
5SYN
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COCRYSTAL STRUCTURE OF THE HUMAN ACYL PROTEIN THIOESTERASE 2 WITH AN ISOFORM-SELECTIVE INHIBITOR, ML349
Descriptor:Acyl-protein thioesterase 2, 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione, 1,2-ETHANEDIOL
Authors:Stuckey, J.A., Labby, K.J., Meagher, J.L., Won, S.J., Martin, B.R.
Deposit date:2016-08-11
Release date:2016-10-26
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).
ACS Chem. Biol., 11, 2016
5TCA
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COMPLEMENT FACTOR D INHIBITED WITH JH3
Descriptor:Complement factor D, 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
Authors:Stuckey, J.A.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
5TCC
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COMPLEMENT FACTOR D INHIBITED WITH JH4
Descriptor:Complement factor D, (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide
Authors:Stuckey, J.A.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
5VFC
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WDR5 BOUND TO INHIBITOR MM-589
Descriptor:WD repeat-containing protein 5, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2017-04-07
Release date:2017-06-28
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
1YTS
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A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE
Descriptor:YERSINIA PROTEIN TYROSINE PHOSPHATASE, SULFATE ION
Authors:Schubert, H.L., Stuckey, J.A., Fauman, E.B., Dixon, J.E., Saper, M.A.
Deposit date:1995-04-07
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ligand-induced conformational change in the Yersinia protein tyrosine phosphatase.
Protein Sci., 4, 1995
4I9O
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CRYSTAL STRUCTURE OF GACKIX L664C TETHERED TO 1-10
Descriptor:CREB-binding protein, 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one, 1,2-ETHANEDIOL
Authors:Wang, N., Meagher, J.L., Stuckey, J.A., Mapp, A.K.
Deposit date:2012-12-05
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ordering a dynamic protein via a small-molecule stabilizer.
J.Am.Chem.Soc., 135, 2013
1LRN
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AQUIFEX AEOLICUS KDO8P SYNTHASE H185G MUTANT IN COMPLEX WITH CADMIUM
Descriptor:KDO-8-phosphate synthetase, PHOSPHATE ION, CADMIUM ION
Authors:Wang, J., Duewel, H.S., Stuckey, J.A., Woodard, R.W., Gatti, D.L.
Deposit date:2002-05-15
Release date:2002-11-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
J.Mol.Biol., 324, 2002
1LRO
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AQUIFEX AEOLICUS KDO8P SYNTHASE H185G MUTANT IN COMPLEX WITH PEP AND CADMIUM
Descriptor:KDO-8-phosphate synthetase, PHOSPHATE ION, CADMIUM ION, ...
Authors:Wang, J., Duewel, H.S., Stuckey, J.A., Woodard, R.W., Gatti, D.L.
Deposit date:2002-05-15
Release date:2002-11-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
J.Mol.Biol., 324, 2002
1LRQ
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AQUIFEX AEOLICUS KDO8P SYNTHASE H185G MUTANT IN COMPLEX WITH PEP, A5P AND CADMIUM
Descriptor:KDO-8-phosphate synthetase, CADMIUM ION, PHOSPHOENOLPYRUVATE, ...
Authors:Wang, J., Duewel, H.S., Stuckey, J.A., Woodard, R.W., Gatti, D.L.
Deposit date:2002-05-15
Release date:2002-11-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
J.Mol.Biol., 324, 2002
1LW3
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CRYSTAL STRUCTURE OF MYOTUBULARIN-RELATED PROTEIN 2 COMPLEXED WITH PHOSPHATE
Descriptor:Myotubularin-related protein 2, PHOSPHATE ION
Authors:Begley, M.J., Taylor, G.S., Kim, S.-A., Veine, D.M., Dixon, J.E., Stuckey, J.A.
Deposit date:2002-05-30
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Phosphoinositide Phosphatase, MTMR2: Insights into Myotubular Myopathy and Charcot-Marie-Tooth Syndrome
Mol.Cell, 12, 2003
1M7R
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CRYSTAL STRUCTURE OF MYOTUBULARIN-RELATED PROTEIN-2 (MTMR2) COMPLEXED WITH PHOSPHATE
Descriptor:Myotubularin-related Protein-2, PHOSPHATE ION
Authors:Begley, M.J., Taylor, G.S., Kim, S.-A., Veine, D.M., Dixon, J.E., Stuckey, J.A.
Deposit date:2002-07-22
Release date:2003-10-07
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a phosphoinositide phosphatase, MTMR2: insights into myotubular myopathy and Charcot-Marie-Tooth syndrome
Mol.Cell, 12, 2003
1XXP
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YERSINIA YOPH (RESIDUES 163-468) C403S BINDS PHOSPHOTYROSYL PEPTIDE AT TWO SITES
Descriptor:Protein-tyrosine phosphatase yopH, Hexapeptide ASP-ALA-ASP-GLU-PTR-CLE
Authors:Ivanov, M.I., Stuckey, J.A., Schubert, H.L., Saper, M.A., Bliska, J.B.
Deposit date:2004-11-07
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
1XXV
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YERSINIA YOPH (RESIDUES 163-468) BINDS PHOSPHONODIFLUOROMETHYL-PHE CONTAINING HEXAPEPTIDE AT TWO SITES
Descriptor:Protein-tyrosine phosphatase yopH, Epidermal growth factor receptor derived peptide
Authors:Ivanov, M.I., Stuckey, J.A., Schubert, H.L., Saper, M.A., Bliska, J.B.
Deposit date:2004-11-08
Release date:2005-03-22
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
2BMY
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BANANA LECTIN
Descriptor:RIPENING-ASSOCIATED PROTEIN, SULFATE ION, CADMIUM ION
Authors:Meagher, J.L., Winter, H.C., Ezell, P., Goldstein, I.J., Stuckey, J.A.
Deposit date:2005-03-17
Release date:2005-06-16
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
2BMZ
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BANANA LECTIN BOUND TO XYL-B1,3 MAN-A-O-METHYL (XM)
Descriptor:RIPENING-ASSOCIATED PROTEIN, SULFATE ION, METHYL 3-O-BETA-D-XYLOPYRANOSYL-ALPHA-D-MANNOPYRANOSIDE, ...
Authors:Meagher, J.L., Winter, H.C., Ezell, P., Goldstein, I.J., Stuckey, J.A.
Deposit date:2005-03-17
Release date:2005-06-16
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
2BN0
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BANANA LECTIN BOUND TO LAMINARIBIOSE
Descriptor:RIPENING-ASSOCIATED PROTEIN, BETA-D-GLUCOSE, CADMIUM ION, ...
Authors:Meagher, J.L., Winter, H.C., Ezell, P., Goldstein, I.J., Stuckey, J.A.
Deposit date:2005-03-17
Release date:2005-06-16
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005