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6B98
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BU of 6b98 by Molmil
PDE2 in complex with compound 1
分子名称: 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ...
著者Lu, J.
登録日2017-10-10
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design.
Bioorg. Med. Chem. Lett., 27, 2017
6B96
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BU of 6b96 by Molmil
Crystal Structure of PDE2 in complex with compound 16
分子名称: 1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Lu, J.
登録日2017-10-10
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design.
Bioorg. Med. Chem. Lett., 27, 2017
3I8P
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BU of 3i8p by Molmil
Crystal structure of E. coli FabF(C163A) in complex with Platensimycin A1
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Platensimycin A1
著者Soisson, S.M, Parthsarathy, G.
登録日2009-07-09
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
1SD0
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BU of 1sd0 by Molmil
Structure of arginine kinase C271A mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ...
著者Gattis, J.L, Ruben, E, Fenley, M.O, Ellington, W.R, Chapman, M.S.
登録日2004-02-12
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The active site cysteine of arginine kinase: structural and functional analysis of partially active mutants
Biochemistry, 43, 2004
4DXD
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BU of 4dxd by Molmil
Staphylococcal Aureus FtsZ in complex with 723
分子名称: 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Lu, J, Soisson, S.M.
登録日2012-02-27
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics.
Sci Transl Med, 4, 2012
1M15
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BU of 1m15 by Molmil
Transition state structure of arginine kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARGININE, MAGNESIUM ION, ...
著者Yousef, M.S, Fabiola, F, Gattis, J.L, Somasundaram, T, Chapman, M.S.
登録日2002-06-17
公開日2002-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Refinement of the arginine kinase transition-state analogue complex at 1.2 A resolution: mechanistic insights.
Acta Crystallogr.,Sect.D, 58, 2002
6U38
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BU of 6u38 by Molmil
PCSK9 in complex with a Fab and compound 8
分子名称: 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
分子名称: 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U36
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BU of 6u36 by Molmil
PCSK9 in complex with a Fab and compound 14
分子名称: 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U3X
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BU of 6u3x by Molmil
PCSK9 in complex with compound 2
分子名称: 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-22
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U26
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BU of 6u26 by Molmil
PCSK9 in complex with compound 16
分子名称: 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2019-08-19
公開日2019-11-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2P
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BU of 6u2p by Molmil
PCSK9 in complex with compound 5
分子名称: 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
1QH4
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BU of 1qh4 by Molmil
CRYSTAL STRUCTURE OF CHICKEN BRAIN-TYPE CREATINE KINASE AT 1.41 ANGSTROM RESOLUTION
分子名称: ACETATE ION, CALCIUM ION, CREATINE KINASE
著者Eder, M, Schlattner, U, Becker, A, Wallimann, T, Kabsch, W, Fritz-Wolf, K.
登録日1999-05-11
公開日1999-11-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of brain-type creatine kinase at 1.41 A resolution.
Protein Sci., 8, 1999
1MSP
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BU of 1msp by Molmil
MAJOR SPERM PROTEIN, ALPHA ISOFORM (RECOMBINANT), PH 4.6
分子名称: MAJOR SPERM PROTEIN
著者Bullock, T.L, Roberts, T.M, Stewart, M.
登録日1996-05-20
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2.5 A resolution crystal structure of the motile major sperm protein (MSP) of Ascaris suum.
J.Mol.Biol., 263, 1996
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