3DJB
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![BU of 3djb by Molmil](/molmil-images/mine/3djb) | Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114 | Descriptor: | Hydrolase, HD family, MAGNESIUM ION | Authors: | Forouhar, F, Su, M, Seetharaman, J, Vorobiev, S.M, Janjua, H, Fang, Y, Xiao, R, Cunningham, K, Maglaqui, M, Owen, L.A, Wang, D, Baran, M.C, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-06-23 | Release date: | 2008-08-19 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114 To be Published
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3BEY
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![BU of 3bey by Molmil](/molmil-images/mine/3bey) | Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Consortium target TT217 | Descriptor: | Conserved protein O27018 | Authors: | Kuzin, A.P, Gu, J, Xu, X, Neely, H, Forouhar, F, Owens, L, Mao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-20 | Release date: | 2007-12-18 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum. To be Published
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3BDR
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![BU of 3bdr by Molmil](/molmil-images/mine/3bdr) | Crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. Northeast Structural Genomics Consortium target TeR13. | Descriptor: | PHOSPHATE ION, Ycf58 protein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-15 | Release date: | 2007-11-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. To be Published
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1RD9
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![BU of 1rd9 by Molmil](/molmil-images/mine/1rd9) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2 | Descriptor: | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE 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: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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5TUY
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![BU of 5tuy by Molmil](/molmil-images/mine/5tuy) | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124 | Descriptor: | 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TUZ
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![BU of 5tuz by Molmil](/molmil-images/mine/5tuz) | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124 | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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1RCV
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![BU of 1rcv by Molmil](/molmil-images/mine/1rcv) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1 | Descriptor: | [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB) | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | Deposit date: | 2003-11-04 | Release date: | 2004-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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3DME
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![BU of 3dme by Molmil](/molmil-images/mine/3dme) | Crystal structure of conserved exported protein from Bordetella pertussis. NorthEast Structural Genomics target BeR141 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L(+)-TARTARIC ACID, conserved exported protein | Authors: | Seetharaman, J, Abashidze, M, Wang, D, Janjua, H, 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: | 2008-06-30 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of conserved exported protein from Bordetella pertussis. NorthEast Structural Genomics target BeR141 To be Published
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1R2B
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![BU of 1r2b by Molmil](/molmil-images/mine/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
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1R28
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![BU of 1r28 by Molmil](/molmil-images/mine/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
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1SQR
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![BU of 1sqr by Molmil](/molmil-images/mine/1sqr) | Solution Structure of the 50S Ribosomal Protein L35AE from Pyrococcus furiosus. Northeast Structural Genomics Consortium Target PfR48. | Descriptor: | 50S ribosomal protein L35Ae | Authors: | Snyder, D.A, Aramini, J.M, Huang, Y.J, Xiao, R, Cort, J.R, Shastry, R, Ma, L.C, Liu, J, Rost, B, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-03-19 | Release date: | 2004-11-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of the 50S Ribosomal Protein L35AE from Pyrococcus furiosus: Northeast Structural Genomics Consortium Target PfR48 To be Published
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4UC1
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![BU of 4uc1 by Molmil](/molmil-images/mine/4uc1) | High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ... | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism. Science, 347, 2015
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1RDP
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![BU of 1rdp by Molmil](/molmil-images/mine/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
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4UC3
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![BU of 4uc3 by Molmil](/molmil-images/mine/4uc3) | Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism. Science, 347, 2015
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3DL3
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![BU of 3dl3 by Molmil](/molmil-images/mine/3dl3) | Crystal structure of the tellurite resistance protein TehB. Northeast Structural Genomics Consortium target VfR98 . | Descriptor: | Tellurite resistance protein B | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-06-26 | Release date: | 2008-08-26 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the tellurite resistance protein TehB. Northeast Structural Genomics Consortium target VfR98. To be Published
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3RL1
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![BU of 3rl1 by Molmil](/molmil-images/mine/3rl1) | HIV RT derived peptide complexed to HLA-A*0301 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-3 alpha chain, ... | Authors: | Zhang, S, Liu, J, Cheng, H, Tan, S, Qi, J, Yan, J, Gao, G.F. | Deposit date: | 2011-04-19 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of cross-allele presentation by HLA-A*0301 and HLA-A*1101 revealed by two HIV-derived peptide complexes Mol.Immunol., 49, 2011
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4UC2
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![BU of 4uc2 by Molmil](/molmil-images/mine/4uc2) | Crystal structure of translocator protein 18kDa (TSPO) from rhodobacter sphaeroides (A139T mutant) in P212121 space group | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, TETRAETHYLENE GLYCOL, TRANSLOCATOR PROTEIN TSPO | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism. Science, 347, 2015
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5TTG
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![BU of 5ttg by Molmil](/molmil-images/mine/5ttg) | Crystal structure of catalytic domain of GLP with MS012 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-11-03 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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3RL2
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![BU of 3rl2 by Molmil](/molmil-images/mine/3rl2) | HIV Nef derived peptide Nef73 complexed to HLA-A*0301 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-3 alpha chain, ... | Authors: | Zhang, S, Liu, J, Cheng, H, Tan, S, Qi, J, Yan, J, Gao, G.F. | Deposit date: | 2011-04-19 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.386 Å) | Cite: | Structural basis of cross-allele presentation by HLA-A*0301 and HLA-A*1101 revealed by two HIV-derived peptide complexes Mol.Immunol., 49, 2011
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3BU2
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![BU of 3bu2 by Molmil](/molmil-images/mine/3bu2) | Crystal structure of a tRNA-binding protein from Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Consortium target SyR77 | Descriptor: | Putative tRNA-binding protein | Authors: | Seetharaman, J, Su, M, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, 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: | 2007-12-31 | Release date: | 2008-01-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a tRNA-binding protein from Staphylococcus saprophyticus subsp. saprophyticus. To be Published
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3F0U
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![BU of 3f0u by Molmil](/molmil-images/mine/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
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3FQ0
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![BU of 3fq0 by Molmil](/molmil-images/mine/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
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3F0B
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![BU of 3f0b by Molmil](/molmil-images/mine/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
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3DB9
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![BU of 3db9 by Molmil](/molmil-images/mine/3db9) | Crystal structure of UPF0317 protein Atu3911 from Agrobacterium tumefaciens. NorthEast Strcutural Genomics target AtR186 | Descriptor: | UPF0317 protein Atu3911 | Authors: | Seetharaman, J, Abashidze, M, Wang, D, Janjua, H, Owens, L, 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: | 2008-05-30 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of UPF0317 protein Atu3911 from Agrobacterium tumefaciens. NorthEast Strcutural Genomics target AtR186 (CASP Target) TO BE PUBLISHED
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1RF2
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![BU of 1rf2 by Molmil](/molmil-images/mine/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
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