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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1Z25
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![BU of 1z25 by Molmil](/molmil-images/mine/1z25) | Structure of P.furiosus Argonaute with bound Mn2+ | Descriptor: | Argonaute, MANGANESE (II) ION | Authors: | Rivas, F.V, Tolia, N.H, Song, J.J, Aragon, J.P, Liu, J, Hannon, G.J, Joshua-Tor, L. | Deposit date: | 2005-03-07 | Release date: | 2005-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Purified Argonaute2 and an siRNA form recombinant human RISC. Nat.Struct.Mol.Biol., 12, 2005
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1Z26
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![BU of 1z26 by Molmil](/molmil-images/mine/1z26) | Structure of Pyrococcus furiosus Argonaute with bound tungstate | Descriptor: | Argonaute, TUNGSTATE(VI)ION | Authors: | Rivas, F.V, Tolia, N.H, Song, J.J, Aragon, J.P, Liu, J, Hannon, G.J, Joshua-Tor, L. | Deposit date: | 2005-03-07 | Release date: | 2005-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Purified Argonaute2 and an siRNA form recombinant human RISC. Nat.Struct.Mol.Biol., 12, 2005
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | Authors: | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-14 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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1ZG2
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![BU of 1zg2 by Molmil](/molmil-images/mine/1zg2) | Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2. | Descriptor: | Hypothetical UPF0213 protein BH0048 | Authors: | Aramini, J.M, Swapna, G.V.T, Xiao, R, Ma, L, Shastry, R, Ciano, M, Acton, T.B, Liu, J, Rost, B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-04-20 | Release date: | 2005-06-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2. To be Published
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8HAY
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![BU of 8hay by Molmil](/molmil-images/mine/8hay) | d4-bound btDPP4 | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-10-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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2JR6
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![BU of 2jr6 by Molmil](/molmil-images/mine/2jr6) | Solution structure of UPF0434 protein NMA0874. Northeast Structural Genomics Target MR32 | Descriptor: | UPF0434 protein NMA0874 | Authors: | Ghosh, A, Singarapu, K.K, Wu, Y, Liu, G, Sukumaran, D, Chen, C.X, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-20 | Release date: | 2007-07-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of UPF0434 protein NMA0874. To be Published
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2B22
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![BU of 2b22 by Molmil](/molmil-images/mine/2b22) | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | Descriptor: | General control protein GCN4, SODIUM ION | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | Deposit date: | 2005-09-16 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat. Structure, 14, 2006
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2JNY
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![BU of 2jny by Molmil](/molmil-images/mine/2jny) | Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1 | Descriptor: | Uncharacterized BCR | Authors: | Wu, Y, Liu, G, Zhang, Q, Chen, C, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M, Swapna, G, Acton, T, Rost, B, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-02-14 | Release date: | 2007-04-24 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1 To be Published
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2A5I
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![BU of 2a5i by Molmil](/molmil-images/mine/2a5i) | Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 1,2-ETHANEDIOL, 3C-like peptidase, ... | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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2A5K
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![BU of 2a5k by Molmil](/molmil-images/mine/2a5k) | Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like peptidase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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7NTH
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![BU of 7nth by Molmil](/molmil-images/mine/7nth) | Structure of TAK1 in complex with compound 54 | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | Deposit date: | 2021-03-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7NTI
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![BU of 7nti by Molmil](/molmil-images/mine/7nti) | Structure of TAK1 in complex with compound 22 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | Deposit date: | 2021-03-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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2BGR
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![BU of 2bgr by Molmil](/molmil-images/mine/2bgr) | Crystal structure of HIV-1 Tat derived nonapeptides Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2005-01-04 | Release date: | 2005-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26) J.Biol.Chem., 280, 2005
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5GW8
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![BU of 5gw8 by Molmil](/molmil-images/mine/5gw8) | Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Xu, J, Xu, H, Liu, J. | Deposit date: | 2016-09-09 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity. Biochem. Biophys. Res. Commun., 488, 2017
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2B1F
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![BU of 2b1f by Molmil](/molmil-images/mine/2b1f) | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | Descriptor: | General control protein GCN4 | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | Deposit date: | 2005-09-15 | Release date: | 2006-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat. Structure, 14, 2006
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2NOC
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![BU of 2noc by Molmil](/molmil-images/mine/2noc) | Solution Structure of Putative periplasmic protein: Northest Structural Genomics Target StR106 | Descriptor: | Putative periplasmic protein | Authors: | Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-10-25 | Release date: | 2006-11-28 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of Putative periplasmic protein: Northest Structural Genomics Target StR106 To be Published
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2A5A
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![BU of 2a5a by Molmil](/molmil-images/mine/2a5a) | Crystal structure of unbound SARS coronavirus main peptidase in the space group C2 | Descriptor: | 1,2-ETHANEDIOL, 3C-like peptidase, CHLORIDE ION | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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2KCL
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![BU of 2kcl by Molmil](/molmil-images/mine/2kcl) | Solution NMR structure of tetratricopeptide repeat domain protein SrU_0103 from Salinibacter ruber, Northeast Structural Genomics Consortium (NESG) Target SrR115C | Descriptor: | Tetratricopeptide repeat domain protein | Authors: | Liu, G, Rossi, P, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-22 | Release date: | 2009-01-06 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of tetratricopeptide repeat domain protein SrU_0103 from Salinibacter ruber, Northeast Structural Genomics Consortium (NESG) Target SrR115C To be Published
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3F0S
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![BU of 3f0s by Molmil](/molmil-images/mine/3f0s) | Staphylococcus aureus 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: | 2008-10-25 | Release date: | 2009-10-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design To be Published
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3F0V
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![BU of 3f0v by Molmil](/molmil-images/mine/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
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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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3F5F
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![BU of 3f5f by Molmil](/molmil-images/mine/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
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3P1X
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![BU of 3p1x by Molmil](/molmil-images/mine/3p1x) | Crystal structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4527E | Descriptor: | Interleukin enhancer-binding factor 3 | Authors: | Seetharaman, J, Neely, H, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-09-30 | Release date: | 2010-12-29 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4527E To be Published
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3FQO
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![BU of 3fqo by Molmil](/molmil-images/mine/3fqo) | Staphylococcus aureus F98Y mutant 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: | 2009-01-07 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 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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