Author results

4CWF
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-02
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWN
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWO
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWP
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWQ
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWR
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWS
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWT
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
著者Casale, E., Amboldi, N., Brasca, G., Caronni, D., Colombo, N., Dalvit, C., Felder, E.R., Fogliatto, G., Isacchi, A., Mantegani, S., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
3NK8
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TRYPSIN IN COMPLEX WITH FLUORINE-CONTAINING FRAGMENT
分子名称:Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ...
著者Schiering, N., Vulpetti, A., Dalvit, C.
登録日2010-06-18
公開日2010-11-10
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
3NKK
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TRYPSIN IN COMPLEX WITH FLUORINE CONTAINING FRAGMENT
分子名称:Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ...
著者Schiering, N., Vulpetti, A., Dalvit, C.
登録日2010-06-20
公開日2010-11-10
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
5MT0
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COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR
分子名称:Complement factor D, 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid, SULFATE ION
著者Mac Sweeney, A., Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
5MT4
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COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
分子名称:Complement factor D, 2-[(phenylmethyl)carbamoylamino]benzoic acid
著者Mac Sweeney, A., Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
5NAT
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-METHYL-1H-INDOL-3-YL)-AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE]
分子名称:Complement factor D, GLYCEROL, (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
著者Mac Sweeney, A., Ostermann, N.
登録日2017-02-28
公開日2018-03-21
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structure-based library design and fragment screening for the identification of reversible small Complement Factor D protease inhibitors
To Be Published