Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 495 件
1O5A
DownloadVisualize
BU of 1o5a by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, CITRIC ACID, Urokinase-type plasminogen activator
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA)
J.Mol.Biol., 344, 2004
4DPH
DownloadVisualize
BU of 4dph by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH
分子名称: 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-02-13
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
1O5C
DownloadVisualize
BU of 1o5c by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, CITRIC ACID, Urokinase-type plasminogen activator
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA)
J.Mol.Biol., 344, 2004
4BCW
DownloadVisualize
BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
分子名称: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Tars, K, Leitans, J, Kazaks, A.
登録日2012-10-03
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
1SQK
DownloadVisualize
BU of 1sqk by Molmil
CRYSTAL STRUCTURE OF CIBOULOT IN COMPLEX WITH SKELETAL ACTIN
分子名称: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hertzog, M, Van Heijenoort, C, Didry, D, Gaudier, M, Gigant, B, Coutant, J, Didelot, G, Preat, T, Knossow, M, Guittet, E, Carlier, M.F.
登録日2004-03-19
公開日2004-06-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The beta-Thymosin/WH2 Domain; Structural Basis for the Switch from Inhibition to Promotion of Actin Assembly
Cell(Cambridge,Mass.), 117, 2004
4BEY
DownloadVisualize
BU of 4bey by Molmil
Night blindness causing G90D rhodopsin in complex with GaCT2 peptide
分子名称: ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ...
著者Singhal, A, Ostermaier, M.K, Vishnivetskiy, S.A, Panneels, V, Homan, K.T, Tesmer, J.J.G, Veprintsev, D, Deupi, X, Gurevich, V.V, Schertler, G.F.X, Standfuss, J.
登録日2013-03-12
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights Into Congenital Stationary Night Blindness Based on the Structure of G90D Rhodopsin.
Embo Rep., 14, 2013
1VKG
DownloadVisualize
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
4BEZ
DownloadVisualize
BU of 4bez by Molmil
Night blindness causing G90D rhodopsin in the active conformation
分子名称: ACETATE ION, PALMITIC ACID, RHODOPSIN, ...
著者Singhal, A, Ostermaier, M.K, Vishnivetskiy, S.A, Panneels, V, Homan, K.T, Tesmer, J.J.G, Veprintsev, D, Deupi, X, Gurevich, V.V, Schertler, G.F.X, Standfuss, J.
登録日2013-03-12
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Insights Into Congenital Stationary Night Blindness Based on the Structure of G90D Rhodopsin.
Embo Rep., 14, 2013
1XN2
DownloadVisualize
BU of 1xn2 by Molmil
New substrate binding pockets for beta-secretase.
分子名称: Beta-secretase 1, OM03-4
著者Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J.
登録日2004-10-04
公開日2005-03-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase).
Biochemistry, 44, 2005
1OIO
DownloadVisualize
BU of 1oio by Molmil
GafD (F17c-type) Fimbrial adhesin from Escherichia coli
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FIMBRIAL LECTIN
著者Merckel, M.C, Tanskanen, J, Edelman, S, Westerlund-Wikstrom, B, Korhonen, T.K, Goldman, A.
登録日2003-06-22
公開日2003-08-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structural Basis of Receptor-Binding by Escherichia Coli Associated with Diarrhea and Septicemia
J.Mol.Biol., 331, 2003
1M1C
DownloadVisualize
BU of 1m1c by Molmil
Structure of the L-A virus
分子名称: Major coat protein
著者Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E.
登録日2002-06-18
公開日2002-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism.
Nat.Struct.Biol., 9, 2002
4CKU
DownloadVisualize
BU of 4cku by Molmil
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
分子名称: 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2
著者Tars, K, Leitans, J, Jaudzems, K.
登録日2014-01-08
公開日2014-06-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014
1XN3
DownloadVisualize
BU of 1xn3 by Molmil
Crystal structure of Beta-secretase bound to a long inhibitor with additional upstream residues.
分子名称: Beta-secretase 1, Peptidic inhibitor
著者Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J.
登録日2004-10-04
公開日2005-03-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase).
Biochemistry, 44, 2005
1T64
DownloadVisualize
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
1XS7
DownloadVisualize
BU of 1xs7 by Molmil
Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).
分子名称: Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE
著者Ghosh, A, Devasamudram, T, Hong, L, DeZutter, C, Xu, X, Weerasena, V, Koelsch, G, Bilcer, G, Tang, J.
登録日2004-10-18
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).
Bioorg.Med.Chem.Lett., 15, 2005
3QAQ
DownloadVisualize
BU of 3qaq by Molmil
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 1
分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
1YWN
DownloadVisualize
BU of 1ywn by Molmil
Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine
分子名称: N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2
著者Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T.
登録日2005-02-18
公開日2005-08-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1O5G
DownloadVisualize
BU of 1o5g by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, CALCIUM ION, Hirudin IIIB', ...
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1Y57
DownloadVisualize
BU of 1y57 by Molmil
Structure of unphosphorylated c-Src in complex with an inhibitor
分子名称: 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Cowan-Jacob, S.W, Fendrich, G, Manley, P.W, Jahnke, W, Fabbro, D, Liebetanz, J, Meyer, T.
登録日2004-12-02
公開日2005-06-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The Crystal Structure of a c-Src Complex in an Active Conformation Suggests Possible Steps in c-Src Activation
Structure, 13, 2005
3QAR
DownloadVisualize
BU of 3qar by Molmil
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32
分子名称: 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
1F42
DownloadVisualize
BU of 1f42 by Molmil
THE P40 DOMAIN OF HUMAN INTERLEUKIN-12
分子名称: 5-MERCAPTO-2-NITRO-BENZOIC ACID, INTERLEUKIN-12 BETA CHAIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S.
登録日2000-06-07
公開日2001-06-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12.
EMBO J., 19, 2000
2M43
DownloadVisualize
BU of 2m43 by Molmil
DNA containing a cluster of 8-oxo-guanine and abasic site lesion: alpha anomer (AP6, 8OG 14)
分子名称: DNA (5'-D(*CP*GP*CP*TP*CP*(ORP)P*CP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*(8OG)P*TP*GP*GP*GP*AP*GP*CP*G)-3')
著者Zalesak, J, Jourdan, M, Constant, J, Lourdin, M.
登録日2013-01-29
公開日2014-01-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and dynamics of DNA duplexes containing a cluster of mutagenic 8-oxoguanine and abasic site lesions.
J.Mol.Biol., 426, 2014
1O5F
DownloadVisualize
BU of 1o5f by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Serine protease hepsin
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
4FJY
DownloadVisualize
BU of 4fjy by Molmil
Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f
分子名称: 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-12
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
4FJZ
DownloadVisualize
BU of 4fjz by Molmil
Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
分子名称: 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-12
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon