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5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
分子名称: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2016-10-26
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
6C7R
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BU of 6c7r by Molmil
BRD4 BD1 in complex with compound CF53
分子名称: Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
著者Meagher, J.L, Stuckey, J.A.
登録日2018-01-23
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
6CJG
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BU of 6cjg by Molmil
Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46
分子名称: 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
6CJF
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BU of 6cjf by Molmil
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
分子名称: 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
3SP7
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BU of 3sp7 by Molmil
Crystal Structure of Bcl-xL bound to BM903
分子名称: 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
To be Published
3SW4
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BU of 3sw4 by Molmil
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
分子名称: ACETATE ION, Cyclin-dependent kinase 2, N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
著者Kang, Y.N, Stuckey, J.A.
登録日2011-07-13
公開日2012-08-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the CDK2 in complex with a thiazolylpyrimidine inhibitor
To be Published
6C7Q
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BU of 6c7q by Molmil
BRD4 BD2 in complex with compound CE277
分子名称: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-01-23
公開日2018-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
6DHS
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BU of 6dhs by Molmil
Structure of hnRNP H qRRM1,2
分子名称: Heterogeneous nuclear ribonucleoprotein H
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-21
公開日2018-09-12
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
6DS9
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BU of 6ds9 by Molmil
Elongated version of a de novo designed three helix bundle structure (GRa3D)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ...
著者Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-06-13
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein.
Inorg Chem, 57, 2018
3SW7
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BU of 3sw7 by Molmil
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
分子名称: Cyclin-dependent kinase 2, N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine
著者Kang, Y.N, Stuckey, J.A.
登録日2011-07-13
公開日2012-08-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
To be Published
4PG1
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BU of 4pg1 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-01
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PGI
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BU of 4pgi by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound
分子名称: 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-02
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PIK
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BU of 4pik by Molmil
Crystal Structure of Banana Lectin bound to dimannose
分子名称: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-08
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PGK
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BU of 4pgk by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, FE (III) ION
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-02
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PKA
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BU of 4pka by Molmil
Crystal structure of patatin aged with diisopropylphosphorofluoridate
分子名称: Patatin-17
著者Wijeyesakere, S.J, Richardson, R.J, Stuckey, J.A.
登録日2014-05-14
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Patatin-17 in Complex with Aged and Non-Aged Organophosphorus Compounds.
Plos One, 9, 2014
4PIT
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BU of 4pit by Molmil
Crystal Structure of Banana Lectin H84T bound to dimannose
分子名称: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-09
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PKB
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BU of 4pkb by Molmil
CRYSTAL STRUCTURE OF PATATIN-17 COMPLEXED WITH METHYL ARACHIDONYL FLUOROPHOSPHONATE (MAFP)
分子名称: METHYL ARACHIDONYL FLUOROPHOSPHONATE, Patatin-17
著者Wijeyesakere, S.J, Richardson, R.J, Stuckey, J.A.
登録日2014-05-14
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal Structure of Patatin-17 in Complex with Aged and Non-Aged Organophosphorus Compounds.
Plos One, 9, 2014
4PG0
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BU of 4pg0 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-01
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PIF
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BU of 4pif by Molmil
Crystal Structure of recombinant WT Banana Lectin
分子名称: GLYCEROL, Ripening-associated protein
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-08
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PIU
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BU of 4piu by Molmil
CRYSTAL STRUCTURE OF BANANA LECTIN H84T MUTANT
分子名称: GLYCEROL, Ripening-associated protein, SODIUM ION
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-09
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PK9
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BU of 4pk9 by Molmil
The Crystal Structure of Native Patatin
分子名称: Patatin-17
著者Wijeyesakere, S.J, Stuckey, J.A, Richardson, R.J.
登録日2014-05-14
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of Patatin-17 in Complex with Aged and Non-Aged Organophosphorus Compounds.
Plos One, 9, 2014
5T20
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BU of 5t20 by Molmil
Crystal Structure of Tarin Lectin bound to Trimannose
分子名称: 1,2-ETHANEDIOL, Lectin, alpha-D-mannopyranose, ...
著者Pereira, P.R, Meagher, J.L, Stuckey, J.A.
登録日2016-08-22
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献High-resolution crystal structures of Colocasia esculenta tarin lectin.
Glycobiology, 27, 2017
5T1X
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BU of 5t1x by Molmil
Crystal Structure of Native Tarin Lectin
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lectin, ...
著者Pereira, P.R, Meagher, J.L, Stuckey, J.A.
登録日2016-08-22
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-resolution crystal structures of Colocasia esculenta tarin lectin.
Glycobiology, 27, 2017
4I9O
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BU of 4i9o by Molmil
Crystal Structure of GACKIX L664C Tethered to 1-10
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one, CREB-binding protein
著者Wang, N, Meagher, J.L, Stuckey, J.A, Mapp, A.K.
登録日2012-12-05
公開日2013-03-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ordering a dynamic protein via a small-molecule stabilizer.
J.Am.Chem.Soc., 135, 2013

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件を2024-06-12に公開中

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