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1M4L
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STRUCTURE OF NATIVE CARBOXYPEPTIDASE A AT 1.25 RESOLUTION
Descriptor:CARBOXYPEPTIDASE A, ZINC ION
Authors:Kilshtain-Vardi, A., Glick, M., Greenblatt, H.M., Goldblum, A., Shoham, G.
Deposit date:2002-07-03
Release date:2003-01-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Refined structure of bovine carboxypeptidase A at 1.25 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
2HP4
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COMPUTATIONAL DESIGN AND CRYSTAL STRUCTURE OF AN ENHANCED AFFINITY MUTANT HUMAN CD8-ALPHA-ALPHA CO-RECEPTOR
Descriptor:T-cell surface glycoprotein CD8 alpha chain, SULFATE ION, GLYCEROL
Authors:Rizkallah, P.J., Cole, D.K., Jakobsen, B.K., Boulter, J.M., Glick, M., Gao, G.F.
Deposit date:2006-07-17
Release date:2007-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational design and crystal structure of an enhanced affinity mutant human CD8 alphaalpha coreceptor
Proteins, 67, 2007
6BMR
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP244
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, PHOSPHATE ION, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMU
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITORS SHP099 AND SHP244
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMV
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP504
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, PHOSPHATE ION
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMW
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITORS SHP099 AND SHP504
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMX
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP844
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, PHOSPHATE ION, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMY
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITORS SHP099 AND SHP844
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
5U39
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PSEUDOMONAS AERUGINOSA LPXC IN COMPLEX WITH CHIR-090
Descriptor:UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
Authors:Sprague, E.R.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
5U3B
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PSEUDOMONAS AERUGINOSA LPXC IN COMPLEX WITH NVS-LPXC-01
Descriptor:UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, ...
Authors:Sprague, E.R.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
4C3F
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STRUCTURE OF LCK IN COMPLEX WITH A COMPOUND DISCOVERED BY VIRTUAL FRAGMENT LINKING
Descriptor:TYROSINE-PROTEIN KINASE LCK, N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
Authors:Cowan-Jacob, S.W., Rummel, G., Stark, W.
Deposit date:2013-08-23
Release date:2013-10-23
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
J. Med. Chem., 56, 2013
4MTA
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CRYSTAL STRUCTURE OF PIM-1 KINASE DOMAIN IN COMPLEX WITH 2-METHYL-5-PHENYLFURAN-3-CARBOXYLIC ACID
Descriptor:Serine/threonine-protein kinase pim-1, 2-methyl-5-phenylfuran-3-carboxylic acid, GLYCEROL
Authors:Scheufler, C., Be, C.
Deposit date:2013-09-19
Release date:2015-01-14
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Large scale meta-analysis of fragment-based screening campaigns: privileged fragments and complementary technologies.
J Biomol Screen, 20, 2015