1SOU
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![BU of 1sou by Molmil](/molmil-images/mine/1sou) | NMR structure of Aquifex aeolicus 5,10-methenyltetrahydrofolate synthetase: Northeast Structural Genomics Consortium Target QR46 | Descriptor: | 5,10-methenyltetrahydrofolate synthetase | Authors: | Cort, J.R, Chiang, Y, Acton, T, Wu, M, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-03-15 | Release date: | 2004-06-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of Aquifex aeolicus 5,10-methenyltetrahydrofolate synthetase: Northeast Structural Genomics Consortium Target QR46 To be Published
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1QW7
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![BU of 1qw7 by Molmil](/molmil-images/mine/1qw7) | Structure of an Engineered Organophosphorous Hydrolase with Increased Activity Toward Hydrolysis of Phosphothiolate Bonds | Descriptor: | COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase, ... | Authors: | Mesecar, A.D, Grimsley, J.K, Holton, T, Wild, J.R. | Deposit date: | 2003-09-01 | Release date: | 2004-11-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mutational studies of organophosphorus hydrolase reveal a cryptic and functional allosteric-binding site. Arch.Biochem.Biophys., 442, 2005
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1QSR
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![BU of 1qsr by Molmil](/molmil-images/mine/1qsr) | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND ACETYL-COENZYME A | Descriptor: | ACETYL COENZYME *A, TGCN5 HISTONE ACETYL TRANSFERASE | Authors: | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | Deposit date: | 1999-06-23 | Release date: | 1999-09-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide. Nature, 401, 1999
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1Q0T
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![BU of 1q0t by Molmil](/molmil-images/mine/1q0t) | Ternary Structure of T4DAM with AdoHcy and DNA | Descriptor: | 5'-D(*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*T)-3', DNA adenine methylase, IODIDE ION, ... | Authors: | Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X. | Deposit date: | 2003-07-17 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the bacteriophage T4 DNA adenine methyltransferase Nat.Struct.Biol., 10, 2003
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1Q1K
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![BU of 1q1k by Molmil](/molmil-images/mine/1q1k) | Structure of ATP-phosphoribosyltransferase from E. coli complexed with PR-ATP | Descriptor: | ATP phosphoribosyltransferase, L(+)-TARTARIC ACID, PHOSPHORIBOSYL ATP | Authors: | Lohkamp, B, McDermott, G, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2003-07-21 | Release date: | 2004-03-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of Escherichia coli ATP-phosphoribosyltransferase: identification of substrate binding sites and mode of AMP inhibition J.Mol.Biol., 336, 2004
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1SQW
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![BU of 1sqw by Molmil](/molmil-images/mine/1sqw) | Crystal structure of KD93, a novel protein expressed in the human pro | Descriptor: | Saccharomyces cerevisiae Nip7p homolog | Authors: | Liu, J.F, Wang, X.Q, Wang, Z.X, Chen, J.R, Jiang, T, An, X.M, Chan, W.R, Liang, D.C. | Deposit date: | 2004-03-19 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of KD93, a novel protein expressed in human hematopoietic stem/progenitor cells. J.Struct.Biol., 148, 2004
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1SNQ
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1SNP
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1S3V
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![BU of 1s3v by Molmil](/molmil-images/mine/1s3v) | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1S3W
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![BU of 1s3w by Molmil](/molmil-images/mine/1s3w) | Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1S98
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![BU of 1s98 by Molmil](/molmil-images/mine/1s98) | E.coli IscA crystal structure to 2.3 A | Descriptor: | Protein yfhF | Authors: | Cupp-Vickery, J.R, Silberg, J.J, Ta, D.T, Vickery, L.E. | Deposit date: | 2004-02-03 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of IscA, an iron-sulfur cluster assembly protein from Escherichia coli. J.Mol.Biol., 338, 2004
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1Q2P
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![BU of 1q2p by Molmil](/molmil-images/mine/1q2p) | SHV-1 class A beta-lactamase complexed with penem WAY185229 | Descriptor: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1 | Authors: | Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R. | Deposit date: | 2003-07-25 | Release date: | 2004-09-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates J.Med.Chem., 47, 2004
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1Q48
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![BU of 1q48 by Molmil](/molmil-images/mine/1q48) | Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints. | Descriptor: | NifU-like protein | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-08-01 | Release date: | 2003-11-18 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site. J.Mol.Biol., 344, 2004
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1PQS
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![BU of 1pqs by Molmil](/molmil-images/mine/1pqs) | Solution structure of the C-terminal OPCA domain of yCdc24p | Descriptor: | Cell division control protein 24 | Authors: | Leitner, D, Wahl, M, Labudde, D, Diehl, A, Schmieder, P, Pires, J.R, Fossi, M, Leidert, M, Krause, G, Oschkinat, H. | Deposit date: | 2003-06-19 | Release date: | 2003-07-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure of an N-terminally truncated version of the yeast CDC24p PB1 domain shows a different beta-sheet topology. Febs Lett., 579, 2005
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1SNO
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1T24
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![BU of 1t24 by Molmil](/molmil-images/mine/1t24) | Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | Descriptor: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ... | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1TJH
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![BU of 1tjh by Molmil](/molmil-images/mine/1tjh) | Crystal Structure of the broadly neutralizing anti-HIV-1 antibody 2F5 in complex with a gp41 11mer epitope | Descriptor: | 1,2-ETHANEDIOL, Envelope glycoprotein GP41, ISOPROPYL ALCOHOL, ... | Authors: | Ofek, G, Tang, M, Sambor, A, Katinger, H, Mascola, J.R, Wyatt, R, Kwong, P.D. | Deposit date: | 2004-06-04 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and mechanistic analysis of the anti-human immunodeficiency virus type 1 antibody 2F5 in complex with its gp41 epitope J.Virol., 78, 2004
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1TK3
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![BU of 1tk3 by Molmil](/molmil-images/mine/1tk3) | Crystal Structure Of Human Apo Dipeptidyl Peptidase IV/CD26 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bjelke, J.R, Christensen, J, Branner, S, Wagtmann, N, Olsen, C, Kanstrup, A.B, Rasmussen, H.B. | Deposit date: | 2004-06-08 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine 547 Constitutes an Essential Part of the Catalytic Mechanism of Dipeptidyl Peptidase IV J.Biol.Chem., 279, 2004
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1T84
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![BU of 1t84 by Molmil](/molmil-images/mine/1t84) | Solution structure of the Wiskott-Aldrich Syndrome Protein (WASP) autoinhibited core domain complexed with (S)-wiskostatin, a small molecule inhibitor | Descriptor: | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL, Wiskott-Aldrich syndrome protein | Authors: | Peterson, J.R, Bickford, L.C, Morgan, D, Kim, A.S, Ouerfelli, O, Kirschner, M.W, Rosen, M.K. | Deposit date: | 2004-05-11 | Release date: | 2004-07-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Chemical inhibition of N-WASP by stabilization of a native autoinhibited conformation. Nat.Struct.Mol.Biol., 11, 2004
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1T2C
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![BU of 1t2c by Molmil](/molmil-images/mine/1t2c) | Plasmodium falciparum lactate dehydrogenase complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1S2P
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![BU of 1s2p by Molmil](/molmil-images/mine/1s2p) | The structure and refinement of apocrustacyanin C2 to 1.3A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Crustacyanin C2 subunit, SULFATE ION | Authors: | Habash, J, Helliwell, J.R, Raftery, J, Cianci, M, Rizkallah, P.J, Chayen, N.E, NNeji, G.A, Zakalsky, P.F. | Deposit date: | 2004-01-09 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structure and refinement of apocrustacyanin C2 to 1.3 A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. Acta Crystallogr.,Sect.D, 60, 2004
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1SKM
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![BU of 1skm by Molmil](/molmil-images/mine/1skm) | HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | Descriptor: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ... | Authors: | Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X. | Deposit date: | 2004-03-05 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase Nucleic Acids Res., 32, 2004
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1RYJ
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![BU of 1ryj by Molmil](/molmil-images/mine/1ryj) | Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526. | Descriptor: | unknown | Authors: | Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-22 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | AN NMR APPROACH TO STRUCTURAL PROTEOMICS Proc.Natl.Acad.Sci.USA, 99, 2002
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1S3U
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![BU of 1s3u by Molmil](/molmil-images/mine/1s3u) | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1RGY
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![BU of 1rgy by Molmil](/molmil-images/mine/1rgy) | Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | Authors: | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | Deposit date: | 2003-11-13 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem., 279, 2004
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