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
|
|
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
|
|
3F0V
| Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3S)-3-(5-methoxy-2',6'-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: | 2008-10-26 | Release date: | 2009-10-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design To be Published
|
|
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
|
|
3F0U
| Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3R)-3-(5-methoxybiphenyl-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: | 2008-10-26 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|
1N6H
| Crystal Structure of Human Rab5a | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6I
| Crystal Structure of Human Rab5a A30P mutant Complex with GDP | Descriptor: | BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6K
| Crystal Structure of Human Rab5a A30P mutant complex with GDP and aluminum fluoride | Descriptor: | ALUMINUM FLUORIDE, BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6L
| Crystal Structure of Human Rab5a A30P mutant complex with GTP | Descriptor: | BETA-MERCAPTOETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6O
| Crystal Structure of Human Rab5a A30K mutant complex with GppNHp | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6N
| Crystal Structure of Human Rab5a A30R mutant complex with GppNHp | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6P
| Crystal Structure of Human Rab5a A30E mutant complex with GppNHp | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-5A | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
1N6R
| Crystal Structure of Human Rab5a A30L mutant complex with GppNHp | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C. | Deposit date: | 2002-11-11 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop J.Biol.Chem., 278, 2003
|
|
3PWU
| An immmunodominant CTL epitope from rinderpest virus presented by cattle MHC class I molecule N*01801(BoLA-A11) | Descriptor: | Beta-2-microglobulin, IPA from Hemagglutinin glycoprotein, MHC class I antigen | Authors: | Li, X, Liu, J, Qi, J, Gao, F, Li, Q, Li, X, Zhang, N, Xia, C, Gao, G.F. | Deposit date: | 2010-12-09 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Two distinct conformations of a rinderpest virus epitope presented by bovine major histocompatibility complex class I N*01801: a host strategy to present featured peptides J.Virol., 85, 2011
|
|
3F0B
| Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3R)-3-(5-methoxybiphenyl-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: | 2008-10-24 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|
3FQ0
| Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) | Descriptor: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-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: | 2009-01-06 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|
3F5F
| Crystal structure of heparan sulfate 2-O-sulfotransferase from gallus gallus as a maltose binding protein fusion. | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Maltose-binding periplasmic protein, Heparan sulfate 2-O-sulfotransferase 1, ... | Authors: | Bethea, H.N, Xu, D, Liu, J, Pedersen, L.C. | Deposit date: | 2008-11-03 | Release date: | 2008-12-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Redirecting the substrate specificity of heparan sulfate 2-O-sulfotransferase by structurally guided mutagenesis. Proc.Natl.Acad.Sci.USA, 105, 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
|
|
3SWV
| Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (Brefeldin A-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A | Descriptor: | Brefeldin A-inhibited guanine nucleotide-exchange protein 2 | Authors: | Seetharaman, J, Su, M, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-14 | Release date: | 2011-08-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (BrefeldinA-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A To be Published
|
|
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
|
|
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
|
|
3FQV
| Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3S)-3-(2-methoxybiphenyl-4-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: | 2009-01-07 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|
3FQC
| Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine (UCP115A) | Descriptor: | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-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: | 2009-01-07 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|
3FQZ
| Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3S)-3-(2-methoxybiphenyl-4-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: | 2009-01-07 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|
3FQF
| Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine (UCP115A) | Descriptor: | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-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: | 2009-01-07 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
|
|