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PDB: 48 件
4XE0
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BU of 4xe0 by Molmil
Idelalisib bound to the p110 subunit of PI3K delta
分子名称: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2014-12-20
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.434 Å)
主引用文献Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta.
J.Biol.Chem., 290, 2015
6BAB
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BU of 6bab by Molmil
The structure of human CamKII with bound inhibitor
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-10-12
公開日2017-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献TBD
To Be Published
1VKG
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BU of 1vkg by Molmil
Crystal Structure of Human HDAC8 complexed with CRA-19156
分子名称: 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ...
著者Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
登録日2004-05-13
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1HGX
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BU of 1hgx by Molmil
HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE (HGXPRTASE)
分子名称: GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE, SULFATE ION
著者Somoza, J.R, Wang, C.C, Fletterick, R.J.
登録日1996-03-12
公開日1996-08-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the hypoxanthine-guanine-xanthine phosphoribosyltransferase from the protozoan parasite Tritrichomonas foetus.
Biochemistry, 35, 1996
3UDL
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BU of 3udl by Molmil
3-heterocyclyl quinolone bound to HCV NS5B
分子名称: 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase
著者Somoza, J.R.
登録日2011-10-28
公開日2011-12-21
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5VLO
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BU of 5vlo by Molmil
The structure of human CamKII with bound inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-04-25
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibitors of CamKII
To Be Published
5I6U
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BU of 5i6u by Molmil
The crystal structure of PI3Kdelta with compound 32
分子名称: 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.G.
登録日2016-02-16
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献The crystal structure of PI3Kdelta with compound 32
To Be Published
5I4U
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BU of 5i4u by Molmil
The crystal structure of PI3Kdelta with compound 34
分子名称: 2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.G.
登録日2016-02-12
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.372 Å)
主引用文献The Design and Synthesis of Potent, Selective and Metabolically Stable PI3K[delta] Inhibitors
To be published
1DB3
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BU of 1db3 by Molmil
E.COLI GDP-MANNOSE 4,6-DEHYDRATASE
分子名称: GDP-MANNOSE 4,6-DEHYDRATASE
著者Somoza, J.R, Menon, S, Somers, W.S, Sullivan, F.X.
登録日1999-11-02
公開日1999-11-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and kinetic analysis of Escherichia coli GDP-mannose 4,6 dehydratase provides insights into the enzyme's catalytic mechanism and regulation by GDP-fucose.
Structure Fold.Des., 8, 2000
1FH0
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BU of 1fh0 by Molmil
CRYSTAL STRUCTURE OF HUMAN CATHEPSIN V COMPLEXED WITH AN IRREVERSIBLE VINYL SULFONE INHIBITOR
分子名称: CATHEPSIN V, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, SULFATE ION
著者Somoza, J.R.
登録日2000-07-30
公開日2001-07-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human cathepsin V.
Biochemistry, 39, 2000
5T7F
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BU of 5t7f by Molmil
PI3Kdelta in complex with the inhibitor GS-643624
分子名称: 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-04
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
5T8I
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BU of 5t8i by Molmil
PI3Kdelta in complex with the inhibitor GS-9901
分子名称: 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-07
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
6AYW
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BU of 6ayw by Molmil
The structure of human CamKII with bound inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-09-08
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of human CamKII with bound inhibitor
To Be Published
3PHE
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BU of 3phe by Molmil
HCV NS5B with a bound quinolone inhibitor
分子名称: 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein
著者Somoza, J.R, To, N, Lehoux, I.
登録日2010-11-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1T69
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BU of 1t69 by Molmil
Crystal Structure of human HDAC8 complexed with SAHA
分子名称: Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION
著者Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
登録日2004-05-05
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T67
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BU of 1t67 by Molmil
Crystal Structure of Human HDAC8 complexed with MS-344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ...
著者Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
登録日2004-05-05
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T64
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BU of 1t64 by Molmil
Crystal Structure of human HDAC8 complexed with Trichostatin A
分子名称: CALCIUM ION, Histone deacetylase 8, SODIUM ION, ...
著者Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
登録日2004-05-05
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1MOL
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BU of 1mol by Molmil
TWO CRYSTAL STRUCTURES OF A POTENTLY SWEET PROTEIN: NATURAL MONELLIN AT 2.75 ANGSTROMS RESOLUTION AND SINGLE-CHAIN MONELLIN AT 1.7 ANGSTROMS RESOLUTION
分子名称: MONELLIN
著者Somoza, J.R, Kim, S.-H.
登録日1993-04-27
公開日1994-05-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two crystal structures of a potently sweet protein. Natural monellin at 2.75 A resolution and single-chain monellin at 1.7 A resolution.
J.Mol.Biol., 234, 1993
1M6D
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BU of 1m6d by Molmil
Crystal structure of human cathepsin F
分子名称: 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE, Cathepsin F
著者Somoza, J.R, Palmer, J.T, Ho, J.D.
登録日2002-07-15
公開日2003-07-15
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of human cathepsin F and its implications for the development of novel immunomodulators
J.Mol.Biol., 322, 2002
1P57
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BU of 1p57 by Molmil
Extracellular domain of human hepsin
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin
著者Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A.
登録日2003-04-25
公開日2004-01-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain
Structure, 11, 2003
2G7Y
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BU of 2g7y by Molmil
Human Cathepsin S with inhibitor CRA-16981
分子名称: (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE, Cathepsin S
著者Somoza, J.R.
登録日2006-03-01
公開日2006-09-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Cathepsin S with inhibitor CRA-16981
To be Published
2G6D
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BU of 2g6d by Molmil
Human cathepsin S mutant with vinyl sulfone inhibitor CRA-14009
分子名称: N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE, cathepsin S
著者Somoza, J.R.
登録日2006-02-24
公開日2006-04-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human cathepsin S mutant with vinyl sulfone inhibitor CRA-14009
To be Published
2FYE
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BU of 2fye by Molmil
Mutant Human Cathepsin S with irreversible inhibitor CRA-14013
分子名称: N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE, cathepsin S preproprotein
著者Somoza, J.R.
登録日2006-02-07
公開日2006-08-08
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutant Human Cathepsin S with irreversible inhibitor CRA-14013
To be Published
2FRQ
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Human Cathepsin S with Inhibitor CRA-26871
分子名称: N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE, cathepsin S
著者Somoza, J.R.
登録日2006-01-19
公開日2006-07-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Human Cathepsin S with Inhibitor CRA-26871
To be Published
2FPZ
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Human tryptase with 2-amino benzimidazole
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-17
公開日2006-03-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006

 

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