2VKM
| Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Hong, L, Tang, J, Ghosh, A.K. | Deposit date: | 2007-12-04 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation. Bioorg.Med.Chem.Lett., 18, 2008
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3RE9
| Crystal structure of sortaseC1 from Streptococcus suis | Descriptor: | Sortase-like protein | Authors: | Lu, G, Qi, J, Gao, F, Yan, J, Tang, J, Gao, G.F. | Deposit date: | 2011-04-04 | Release date: | 2011-06-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel "open-form" structure of sortaseC from Streptococcus suis. Proteins, 79, 2011
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1CJY
| HUMAN CYTOSOLIC PHOSPHOLIPASE A2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, PROTEIN (CYTOSOLIC PHOSPHOLIPASE A2) | Authors: | Dessen, A, Tang, J, Schmidt, H, Stahl, M, Clark, J.D, Seehra, J, Somers, W.S. | Deposit date: | 1999-04-20 | Release date: | 2000-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human cytosolic phospholipase A2 reveals a novel topology and catalytic mechanism. Cell(Cambridge,Mass.), 97, 1999
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1YWN
| Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | Descriptor: | 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 | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | Deposit date: | 2005-02-18 | Release date: | 2005-08-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1F45
| HUMAN INTERLEUKIN-12 | Descriptor: | INTERLEUKIN-12 ALPHA CHAIN, 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 | Authors: | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | Deposit date: | 2000-06-07 | Release date: | 2001-06-20 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12. EMBO J., 19, 2000
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1F42
| THE P40 DOMAIN OF HUMAN INTERLEUKIN-12 | Descriptor: | 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 | Authors: | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | Deposit date: | 2000-06-07 | Release date: | 2001-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12. EMBO J., 19, 2000
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3QK0
| Crystal structure of PI3K-gamma in complex with benzothiazole 82 | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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3QJZ
| Crystal structure of PI3K-gamma in complex with benzothiazole 1 | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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1GNM
| HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1GNN
| HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1GNO
| HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1FB7
| CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE | Authors: | Hong, L, Zhang, X.C, Hartsuck, J.A, Tang, J. | Deposit date: | 2000-07-14 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance. Protein Sci., 9, 2000
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1R42
| Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ... | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | Deposit date: | 2003-10-07 | Release date: | 2004-02-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis. J.Biol.Chem., 279, 2004
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1R4L
| Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | Descriptor: | (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | Deposit date: | 2003-10-07 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis. J.Biol.Chem., 279, 2004
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3ETA
| Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | Deposit date: | 2008-10-07 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3I7E
| Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, HIV-1 protease | Authors: | Hong, L, Tang, J, Ghosh, A. | Deposit date: | 2009-07-08 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
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1FKN
| Structure of Beta-Secretase Complexed with Inhibitor | Descriptor: | MEMAPSIN 2, inhibitor | Authors: | Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J. | Deposit date: | 2000-08-09 | Release date: | 2000-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor. Science, 290, 2000
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1SGZ
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1T69
| Crystal Structure of human HDAC8 complexed with SAHA | Descriptor: | Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION | Authors: | 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. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1T67
| Crystal Structure of Human HDAC8 complexed with MS-344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ... | Authors: | 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. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1T64
| Crystal Structure of human HDAC8 complexed with Trichostatin A | Descriptor: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | Authors: | 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. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1VKG
| Crystal Structure of Human HDAC8 complexed with CRA-19156 | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | Authors: | 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. | Deposit date: | 2004-05-13 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1XN2
| New substrate binding pockets for beta-secretase. | Descriptor: | Beta-secretase 1, OM03-4 | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | Deposit date: | 2004-10-04 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
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1XN3
| Crystal structure of Beta-secretase bound to a long inhibitor with additional upstream residues. | Descriptor: | Beta-secretase 1, Peptidic inhibitor | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | Deposit date: | 2004-10-04 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
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1XS7
| Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase). | Descriptor: | 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 | Authors: | Ghosh, A, Devasamudram, T, Hong, L, DeZutter, C, Xu, X, Weerasena, V, Koelsch, G, Bilcer, G, Tang, J. | Deposit date: | 2004-10-18 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase). Bioorg.Med.Chem.Lett., 15, 2005
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