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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7U4A
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![BU of 7u4a by Molmil](/molmil-images/mine/7u4a) | Crystal Structure of Zika virus xrRNA1 mutant | Descriptor: | MAGNESIUM ION, RNA (70-MER) | Authors: | Thompson, R.D, Carbaugh, D.L, Nielsen, J.R, Witt, C, Meganck, R.M, Rangadurai, A, Zhao, B, Bonin, J.P, Nathan, N.T, Marzluff, W.F, Frank, A.T, Lazear, H.M, Zhang, Q. | Deposit date: | 2022-02-28 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Dynamic Basis of Xrn1 Resistance in Mosquito-borne Flavivirus RNA To Be Published
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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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7U8K
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![BU of 7u8k by Molmil](/molmil-images/mine/7u8k) | Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments | Descriptor: | Actin, alpha skeletal muscle, Cofilin-2 | Authors: | Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T. | Deposit date: | 2022-03-08 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | SOLID-STATE NMR | Cite: | Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode. Nat Commun, 13, 2022
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1SNO
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![BU of 1sno by Molmil](/molmil-images/mine/1sno) | |
7AYZ
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![BU of 7ayz by Molmil](/molmil-images/mine/7ayz) | |
7AYY
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![BU of 7ayy by Molmil](/molmil-images/mine/7ayy) | Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ... | Authors: | Masuyer, G, Davies, J.R, Stenmark, P. | Deposit date: | 2020-11-13 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function. Science, 376, 2022
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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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7AZ0
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![BU of 7az0 by Molmil](/molmil-images/mine/7az0) | |
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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6ZVN
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![BU of 6zvn by Molmil](/molmil-images/mine/6zvn) | |
6ZQI
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![BU of 6zqi by Molmil](/molmil-images/mine/6zqi) | Cryo-EM structure of Spondweni virus prME | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-09 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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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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7ADP
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![BU of 7adp by Molmil](/molmil-images/mine/7adp) | Cryo-EM structure of human ER membrane protein complex in GDN detergent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ... | Authors: | Braeuning, B, Prabu, J.R, Miller-Vedam, L.E, Weissman, J.S, Frost, A, Schulman, B.A. | Deposit date: | 2020-09-15 | Release date: | 2020-12-02 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients. Elife, 9, 2020
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7QEL
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![BU of 7qel by Molmil](/molmil-images/mine/7qel) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247 | Descriptor: | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | Authors: | Davies, J.R, Scaletti, E.R, Stenmark, P. | Deposit date: | 2021-12-03 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247 To Be Published
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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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7AVH
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![BU of 7avh by Molmil](/molmil-images/mine/7avh) | Streptococcal High Identity Repeats in Tandem (SHIRT) domains 3-4 from cell surface protein SGO_0707 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LPXTG cell wall surface protein | Authors: | Whelan, F, Jenkins, H.T, Potts, J.R. | Deposit date: | 2020-11-05 | Release date: | 2021-06-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Periscope Proteins are variable-length regulators of bacterial cell surface interactions. Proc.Natl.Acad.Sci.USA, 118, 2021
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