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3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E62
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BU of 3e62 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1EET
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BU of 1eet by Molmil
HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204
分子名称: 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE
著者Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K.
登録日2000-02-03
公開日2001-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
J.Med.Chem., 42, 1999
3S6A
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BU of 3s6a by Molmil
Fic protein from NEISSERIA MENINGITIDIS in complex with AMPPNP
分子名称: Cell filamentation protein Fic-related protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Stanger, F, Goepfert, A, Schirmer, T.
登録日2011-05-25
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
3SHG
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BU of 3shg by Molmil
VBHT Fic protein from BARTONELLA SCHOENBUCHENSIS in complex with VBHA antitoxin
分子名称: L(+)-TARTARIC ACID, VbhA, VbhT
著者Goepfert, A, Schirmer, T.
登録日2011-06-16
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
3SN9
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BU of 3sn9 by Molmil
Fic protein from NEISSERIA MENINGITIDIS mutant S182A/E186A in complex with AMPPNP
分子名称: Cell filamentation protein Fic-related protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Goepfert, A, Stanger, F, Schirmer, T.
登録日2011-06-29
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
3SE5
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BU of 3se5 by Molmil
Fic protein from NEISSERIA MENINGITIDIS mutant delta8 in complex with AMPPNP
分子名称: Cell filamentation protein Fic-related protein, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ...
著者Goepfert, A, Stanger, F, Schirmer, T.
登録日2011-06-10
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
1I3Z
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BU of 1i3z by Molmil
MURINE EAT2 SH2 DOMAIN IN COMPLEX WITH SLAM PHOSPHOPEPTIDE
分子名称: EWS/FLI1 ACTIVATED TRANSCRIPT 2, SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE
著者Lu, J, Poy, F, Morra, M, Terhorst, C, Eck, M.J.
登録日2001-02-19
公開日2003-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for the interaction of the free SH2 domain EAT-2 with SLAM receptors in hematopoietic cells.
Eur.J.Biochem., 20, 2001
4BHT
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BU of 4bht by Molmil
Structural Determinants of Cofactor Specificity and Domain Flexibility in Bacterial Glutamate Dehydrogenases
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NADP-SPECIFIC GLUTAMATE DEHYDROGENASE, ...
著者Oliveira, T, Sharkey, M, Engel, P, Khan, A.
登録日2013-04-06
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Nadp(+) -Dependent Glutamate Dehydrogenase from Escherichia Coli: Reflections on the Basis of Coenzyme Specificity in the Family of Glutamate Dehydrogenases.
FEBS J., 280, 2013
6JYU
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BU of 6jyu by Molmil
Crystal structure of Human G6PD Canton
分子名称: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Au, S.W.N.
登録日2019-04-28
公開日2020-04-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of Human G6PD Canton
To Be Published
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
分子名称: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
著者Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
登録日2013-05-20
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014

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件を2024-09-04に公開中

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