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2HP4
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BU of 2hp4 by Molmil
Computational design and crystal structure of an enhanced affinity mutant human CD8-alpha-alpha co-receptor
分子名称: GLYCEROL, SULFATE ION, T-cell surface glycoprotein CD8 alpha chain
著者Rizkallah, P.J, Cole, D.K, Jakobsen, B.K, Boulter, J.M, Glick, M, Gao, G.F.
登録日2006-07-17
公開日2007-02-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Computational design and crystal structure of an enhanced affinity mutant human CD8 alphaalpha coreceptor
Proteins, 67, 2007
1M4L
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BU of 1m4l by Molmil
STRUCTURE OF NATIVE CARBOXYPEPTIDASE A AT 1.25 RESOLUTION
分子名称: CARBOXYPEPTIDASE A, ZINC ION
著者Kilshtain-Vardi, A, Glick, M, Greenblatt, H.M, Goldblum, A, Shoham, G.
登録日2002-07-03
公開日2003-01-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Refined structure of bovine carboxypeptidase A at 1.25 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
分子名称: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
5U39
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BU of 5u39 by Molmil
Pseudomonas aeruginosa LpxC in complex with CHIR-090
分子名称: N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
5U3B
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BU of 5u3b by Molmil
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
4C3F
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BU of 4c3f by Molmil
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
分子名称: N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine, TYROSINE-PROTEIN KINASE LCK
著者Cowan-Jacob, S.W, Rummel, G, Stark, W.
登録日2013-08-23
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
J. Med. Chem., 56, 2013
6BMV
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BU of 6bmv by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP504
分子名称: 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, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMU
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BU of 6bmu by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP244
分子名称: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMY
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BU of 6bmy by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
分子名称: 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, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMR
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BU of 6bmr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244
分子名称: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMX
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BU of 6bmx by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844
分子名称: 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, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMW
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BU of 6bmw by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
分子名称: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
4MTA
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BU of 4mta by Molmil
Crystal structure of Pim-1 kinase domain in complex with 2-methyl-5-phenylfuran-3-carboxylic acid
分子名称: 2-methyl-5-phenylfuran-3-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Scheufler, C, Be, C.
登録日2013-09-19
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Large scale meta-analysis of fragment-based screening campaigns: privileged fragments and complementary technologies.
J Biomol Screen, 20, 2015

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件を2024-04-24に公開中

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