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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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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1S3Y
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![BU of 1s3y by Molmil](/molmil-images/mine/1s3y) | Structure Determination of Tetrahydroquinazoline Antifolates 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 (2.25 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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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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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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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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1PZO
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![BU of 1pzo by Molmil](/molmil-images/mine/1pzo) | TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor | Descriptor: | Beta-lactamase TEM, N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE | Authors: | Horn, J.R, Shoichet, B.K. | Deposit date: | 2003-07-14 | Release date: | 2004-03-09 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric inhibition through core disruption. J.Mol.Biol., 336, 2004
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1PZP
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![BU of 1pzp by Molmil](/molmil-images/mine/1pzp) | |
1Q02
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![BU of 1q02 by Molmil](/molmil-images/mine/1q02) | NMR structure of the UBA domain of p62 (SQSTM1) | Descriptor: | sequestosome 1 | Authors: | Ciani, B, Layfield, R, Cavey, J.R, Sheppard, P.W, Searle, M.S. | Deposit date: | 2003-07-15 | Release date: | 2003-09-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the Ubiquitin-associated Domain of p62 (SQSTM1) and Implications for Mutations That Cause Paget's
Disease of Bone J.Biol.Chem., 278, 2003
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1Q2Q
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![BU of 1q2q by Molmil](/molmil-images/mine/1q2q) | Enterobacter cloacae GC1 class C 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, GLYCEROL, class C beta-lactamase | 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 (1.4 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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1Q0S
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![BU of 1q0s by Molmil](/molmil-images/mine/1q0s) | Binary Structure of T4DAM with AdoHcy | Descriptor: | DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE | 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 (2.3 Å) | Cite: | Structure of the bacteriophage T4 DNA adenine methyltransferase Nat.Struct.Biol., 10, 2003
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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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1S05
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![BU of 1s05 by Molmil](/molmil-images/mine/1s05) | NMR-validated structural model for oxidized R.palustris cytochrome c556 | Descriptor: | Cytochrome c-556, HEME C | Authors: | Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R. | Deposit date: | 2003-12-30 | Release date: | 2004-01-20 | Last modified: | 2021-03-03 | Method: | SOLUTION NMR | Cite: | NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556). J.Biol.Inorg.Chem., 9, 2004
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1SGO
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![BU of 1sgo by Molmil](/molmil-images/mine/1sgo) | NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969. | Descriptor: | Protein C14orf129 | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.-Y, Ma, L.-C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-02-24 | Release date: | 2004-05-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969. To be Published
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1SNQ
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![BU of 1snq by Molmil](/molmil-images/mine/1snq) | |
1SNP
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![BU of 1snp by Molmil](/molmil-images/mine/1snp) | |
1SNO
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![BU of 1sno by Molmil](/molmil-images/mine/1sno) | |
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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1PD8
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![BU of 1pd8 by Molmil](/molmil-images/mine/1pd8) | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | Deposit date: | 2003-05-19 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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1PDB
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![BU of 1pdb by Molmil](/molmil-images/mine/1pdb) | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase | Descriptor: | Dihydrofolate reductase | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | Deposit date: | 2003-05-19 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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1PD9
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![BU of 1pd9 by Molmil](/molmil-images/mine/1pd9) | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | Deposit date: | 2003-05-19 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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1PEG
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![BU of 1peg by Molmil](/molmil-images/mine/1peg) | Structural basis for the product specificity of histone lysine methyltransferases | Descriptor: | Histone H3, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | Authors: | Zhang, X, Yang, Z, Khan, S.I, Horton, J.R, Tamaru, H, Selker, E.U, Cheng, X. | Deposit date: | 2003-05-21 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis for the product specificity of histone lysine methyltransferases Mol.Cell, 12, 2003
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1P9S
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![BU of 1p9s by Molmil](/molmil-images/mine/1p9s) | Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab | Authors: | Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2003-05-12 | Release date: | 2003-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs Science, 300, 2003
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