2NRU
| Crystal structure of IRAK-4 | Descriptor: | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Wang, Z, Liu, J, Walker, N.P.C. | Deposit date: | 2006-11-02 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper. Structure, 14, 2006
|
|
3CKZ
| N1 Neuraminidase H274Y + Zanamivir | Descriptor: | CALCIUM ION, Neuraminidase, ZANAMIVIR | Authors: | Colllins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | Deposit date: | 2008-03-18 | Release date: | 2008-05-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 453, 2008
|
|
3D4N
| Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor | Descriptor: | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Liu, J, Sudom, A, Walker, N.P. | Deposit date: | 2008-05-14 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model J.Med.Chem., 51, 2008
|
|
3D3E
| Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Sudom, A, Liu, J, Walker, N.P. | Deposit date: | 2008-05-09 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model J.Med.Chem., 51, 2008
|
|
3CL2
| N1 Neuraminidase N294S + Oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | Deposit date: | 2008-03-18 | Release date: | 2008-05-20 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.538 Å) | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 453, 2008
|
|
8GE0
| |
6JUI
| The atypical Myb-like protein Cdc5 contains two distinct nucleic acid-binding surfaces | Descriptor: | Pre-mRNA-splicing factor CEF1 | Authors: | Wang, C, Li, G, Li, M, Yang, J, Liu, J. | Deposit date: | 2019-04-14 | Release date: | 2020-02-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Two distinct nucleic acid binding surfaces of Cdc5 regulate development. Biochem.J., 476, 2019
|
|
8GDX
| |
3CL0
| N1 Neuraminidase H274Y + oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | Deposit date: | 2008-03-18 | Release date: | 2008-05-20 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 453, 2008
|
|
3D5Q
| Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor | Descriptor: | 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Liu, J, Sudom, A, Walker, N.P.C. | Deposit date: | 2008-05-16 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1. Bioorg.Med.Chem., 16, 2008
|
|
3DNL
| Molecular structure for the HIV-1 gp120 trimer in the b12-bound state | Descriptor: | HIV-1 envelope glycoprotein gp120 | Authors: | Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S. | Deposit date: | 2008-07-02 | Release date: | 2008-08-19 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Molecular architecture of native HIV-1 gp120 trimers. Nature, 455, 2008
|
|
3DNO
| Molecular structure for the HIV-1 gp120 trimer in the CD4-bound state | Descriptor: | HIV-1 envelope glycoprotein gp120 | Authors: | Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S. | Deposit date: | 2008-07-02 | Release date: | 2008-08-19 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Molecular architecture of native HIV-1 gp120 trimers. Nature, 455, 2008
|
|
3DNN
| Molecular structure for the HIV-1 gp120 trimer in the unliganded state | Descriptor: | HIV-1 envelope glycoprotein gp120 | Authors: | Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S. | Deposit date: | 2008-07-02 | Release date: | 2008-08-19 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Molecular architecture of native HIV-1 gp120 trimers. Nature, 455, 2008
|
|
3EN2
| Three-dimensional structure of the protein priB from Ralstonia solanacearum at the resolution 2.3A. Northeast Structural Genomics Consortium target RsR213C. | Descriptor: | POTASSIUM ION, Probable primosomal replication protein n | Authors: | Kuzin, A.P, Neely, H, Wang, H, Sahdev, S, Foote, E.L, Xiao, R, Liu, J, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-09-25 | Release date: | 2008-10-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of the protein priB from Ralstonia solanacearum at the resolution 2.3A. Northeast Structural Genomics Consortium target RsR213C. To be Published
|
|
3ELO
| Crystal Structure of Human Pancreatic Prophospholipase A2 | Descriptor: | Phospholipase A2, SULFATE ION | Authors: | Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J. | Deposit date: | 2008-09-22 | Release date: | 2009-04-14 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight into the activation mechanism of human pancreatic prophospholipase A2 J.Biol.Chem., 284, 2009
|
|
2QGU
| Three-dimensional structure of the phospholipid-binding protein from Ralstonia solanacearum Q8XV73_RALSQ in complex with a phospholipid at the resolution 1.53 A. Northeast Structural Genomics Consortium target RsR89 | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Probable signal peptide protein | Authors: | Kuzin, A.P, Chen, Y, Jayaraman, S, Chen, C.X, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-29 | Release date: | 2007-07-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Three-dimensional structure of the phospholipid-binding protein from Ralstonia solanacearum Q8XV73_RALSQ in complex with a phospholipid at the resolution 1.53 A. To be Published
|
|
1R2B
| Crystal structure of the BCL6 BTB domain complexed with a SMRT co-repressor peptide | Descriptor: | B-cell lymphoma 6 protein, Nuclear receptor co-repressor 2 | Authors: | Ahmad, K.F, Melnick, A, Lax, S.A, Bouchard, D, Liu, J, Kiang, C.L, Mayer, S, Licht, J.D, Prive, G.G. | Deposit date: | 2003-09-26 | Release date: | 2003-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of SMRT corepressor recruitment by the BCL6 BTB domain. Mol.Cell, 12, 2003
|
|
2QGM
| Crystal structure of succinoglycan biosynthesis protein at the resolution 1.7 A. Northeast Structural Genomics Consortium target BcR136. | Descriptor: | Succinoglycan biosynthesis protein | Authors: | Kuzin, A.P, Abashidze, M, Jayaraman, S, Wang, H, Fang, Y, Maglaqui, M, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-29 | Release date: | 2007-07-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of succinoglycan biosynthesis protein at the resolution 1.7 A. Northeast Structural Genomics Consortium target BcR136. To be Published
|
|
1R28
| Crystal Structure of the B-Cell Lymphoma 6 (BCL6) BTB domain to 2.2 Angstrom | Descriptor: | B-cell lymphoma 6 protein | Authors: | Ahmad, K.F, Melnick, A, Lax, S.A, Bouchard, D, Liu, J, Kiang, C.L, Mayer, S, Licht, J.D, Prive, G.G. | Deposit date: | 2003-09-26 | Release date: | 2003-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of SMRT corepressor recruitment by the BCL6 BTB domain. Mol.Cell, 12, 2003
|
|
1RDP
| Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3 | Descriptor: | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | Deposit date: | 2003-11-05 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
|
|
6DRZ
| Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | Deposit date: | 2018-06-13 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
|
|
1R29
| Crystal Structure of the B-Cell Lymphoma 6 (BCL6) BTB Domain to 1.3 Angstrom | Descriptor: | B-cell lymphoma 6 protein | Authors: | Ahmad, K.F, Melnick, A, Lax, S.A, Bouchard, D, Liu, J, Kiang, C.L, Mayer, S, Licht, J.D, Prive, G.G. | Deposit date: | 2003-09-26 | Release date: | 2003-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mechanism of SMRT corepressor recruitment by the BCL6 BTB domain. Mol.Cell, 12, 2003
|
|
6DRY
| Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | Deposit date: | 2018-06-13 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.918 Å) | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
|
|
1RF2
| Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4 | Descriptor: | 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | Deposit date: | 2003-11-07 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
|
|
3F0X
| Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | Deposit date: | 2008-10-27 | Release date: | 2009-10-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design To be Published
|
|