8CTF
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![BU of 8ctf by Molmil](/molmil-images/mine/8ctf) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-05-14 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8DJV
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![BU of 8djv by Molmil](/molmil-images/mine/8djv) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide | Descriptor: | 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-07-01 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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2QTI
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![BU of 2qti by Molmil](/molmil-images/mine/2qti) | Crystal structure of the UPF0352 protein SO_2176 from Shewanella oneidensis. NESG target SoR77. | Descriptor: | UPF0352 protein SO_2176 | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Kuzin, A.P, Wang, D, Cunningham, K, Owens, L, Maglaqui, M, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-08-02 | Release date: | 2007-08-21 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the UPF0352 protein SO_2176 from Shewanella oneidensis. To be Published
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2LEY
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![BU of 2ley by Molmil](/molmil-images/mine/2ley) | Solution structure of (R7G)-Crp4 | Descriptor: | Alpha-defensin 4 | Authors: | Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Figueredo, S.M, Qu, X, Craik, D.J, Ouellette, A.J. | Deposit date: | 2011-06-26 | Release date: | 2012-05-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance. Amino Acids, 43, 2012
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2R29
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![BU of 2r29 by Molmil](/molmil-images/mine/2r29) | Neutralization of dengue virus by a serotype cross-reactive antibody elucidated by cryoelectron microscopy and x-ray crystallography | Descriptor: | Envelope protein E, Heavy chain of Fab 1A1D-2, Light chain of Fab 1A1D-2 | Authors: | Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2007-08-24 | Release date: | 2007-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins. Nat.Struct.Mol.Biol., 15, 2008
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6A4R
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![BU of 6a4r by Molmil](/molmil-images/mine/6a4r) | Crystal structure of aspartate bound peptidase E from Salmonella enterica | Descriptor: | ASPARTIC ACID, Peptidase E | Authors: | Yadav, P, Chandravanshi, K, Goyal, V.D, Singh, R, Kumar, A, Gokhale, S.M, Makde, R.D. | Deposit date: | 2018-06-20 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition. FEBS Lett., 592, 2018
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2LCZ
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2QAI
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![BU of 2qai by Molmil](/molmil-images/mine/2qai) | Crystal structure of the V-type ATP synthase subunit F from Pyrococcus furiosus. NESG target PfR7. | Descriptor: | V-type ATP synthase subunit F | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Ma, L.-C, Shih, L, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-15 | Release date: | 2007-06-26 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the V-type ATP synthase subunit F from Pyrococcus furiosus. To be Published
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1BNX
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![BU of 1bnx by Molmil](/molmil-images/mine/1bnx) | STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH EAST ASIAN OVALOCYTOSIS. | Descriptor: | PROTEIN (BAND 3) | Authors: | Chambers, E.J, Bloomberg, G.B, Ring, S.M, Tanner, M.J.A. | Deposit date: | 1998-07-30 | Release date: | 1998-08-05 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Studies on the structure of a transmembrane region and a cytoplasmic loop of the human red cell anion exchanger (band 3, AE1). Biochem.Soc.Trans., 26, 1998
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2LF8
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![BU of 2lf8 by Molmil](/molmil-images/mine/2lf8) | |
2QK9
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![BU of 2qk9 by Molmil](/molmil-images/mine/2qk9) | Human RNase H catalytic domain mutant D210N in complex with 18-mer RNA/DNA hybrid | Descriptor: | 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*T)-3', 5'-R(*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3', CITRATE ANION, ... | Authors: | Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W. | Deposit date: | 2007-07-10 | Release date: | 2007-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription Mol.Cell, 28, 2007
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2LUV
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![BU of 2luv by Molmil](/molmil-images/mine/2luv) | |
2QF1
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![BU of 2qf1 by Molmil](/molmil-images/mine/2qf1) | Rat cytosolic PEPCK in complex with oxaloacetic acid. | Descriptor: | MANGANESE (II) ION, OXALOACETATE ION, Phosphoenolpyruvate carboxykinase, ... | Authors: | Sullivan, S.M, Holyoak, T. | Deposit date: | 2007-06-26 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of rat cytosolic PEPCK: insight into the mechanism of phosphorylation and decarboxylation of oxaloacetic acid. Biochemistry, 46, 2007
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4AIP
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![BU of 4aip by Molmil](/molmil-images/mine/4aip) | The FrpB iron transporter from Neisseria meningitidis (F3-3 variant) | Descriptor: | 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, FE-REGULATED PROTEIN B, GLUTAMIC ACID | Authors: | Saleem, M, Prince, S.M, Derrick, J.P. | Deposit date: | 2012-02-11 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a Molecular Decoy to Segregate Transport from Antigenicity in the Frpb Iron Transporter from Neisseria Meningitidis Plos One, 8, 2013
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1CZ1
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![BU of 1cz1 by Molmil](/molmil-images/mine/1cz1) | EXO-B-(1,3)-GLUCANASE FROM CANDIDA ALBICANS AT 1.85 A RESOLUTION | Descriptor: | PROTEIN (EXO-B-(1,3)-GLUCANASE) | Authors: | Cutfield, S.M, Davies, G.J, Murshudov, G, Anderson, B.F, Moody, P.C.E, Sullivan, P.A, Cutfield, J.F. | Deposit date: | 1999-09-01 | Release date: | 2000-01-03 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structure of the exo-beta-(1,3)-glucanase from Candida albicans in native and bound forms: relationship between a pocket and groove in family 5 glycosyl hydrolases. J.Mol.Biol., 294, 1999
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2QZY
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![BU of 2qzy by Molmil](/molmil-images/mine/2qzy) | The structure of chicken mitochondrial PEPCK in complex with PEP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | Authors: | Holyoak, T, Sullivan, S.M, Nowak, T. | Deposit date: | 2007-08-17 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into the Mechanism of PEPCK Catalysis Biochemistry, 45, 2006
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1CJB
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![BU of 1cjb by Molmil](/molmil-images/mine/1cjb) | MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE | Descriptor: | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, MAGNESIUM ION, PROTEIN (HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE), ... | Authors: | Shi, W, Li, C.M, Tyler, P.C, Furneaux, R.H, Cahill, S.M, Girvin, M.E, Grubmeyer, C, Schramm, V.L, Almo, S.C. | Deposit date: | 1999-04-08 | Release date: | 1999-08-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0 A structure of malarial purine phosphoribosyltransferase in complex with a transition-state analogue inhibitor. Biochemistry, 38, 1999
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8D94
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![BU of 8d94 by Molmil](/molmil-images/mine/8d94) | SAMHD1-DNA complex | Descriptor: | CALCIUM ION, DNA (5'-D(P*TP*GP*T)-3'), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Hollis, T.J, Batalis, S.M. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | SAMHD1-DNA complex To Be Published
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8BHZ
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2JKL
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![BU of 2jkl by Molmil](/molmil-images/mine/2jkl) | DraE Adhesin in complex with Bromamphenicol | Descriptor: | 1,2-ETHANEDIOL, BROMAMPHENICOL, CHLORAMPHENICOL, ... | Authors: | Pettigrew, D.M, Roversi, P, Davies, S.G, Russell, A.J, Lea, S.M. | Deposit date: | 2008-08-28 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Structural Study of the Interaction between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol Acta Crystallogr.,Sect.D, 65, 2009
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6AF4
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1A93
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![BU of 1a93 by Molmil](/molmil-images/mine/1a93) | NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC LEUCINE ZIPPER, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | MAX PROTEIN, MYC PROTO-ONCOGENE PROTEIN | Authors: | Lavigne, P, Crump, M.P, Gagne, S.M, Hodges, R.S, Kay, C.M, Sykes, B.D. | Deposit date: | 1998-04-15 | Release date: | 1998-10-21 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Insights into the mechanism of heterodimerization from the 1H-NMR solution structure of the c-Myc-Max heterodimeric leucine zipper. J.Mol.Biol., 281, 1998
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183D
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![BU of 183d by Molmil](/molmil-images/mine/183d) | X-RAY STRUCTURE OF A DNA DECAMER CONTAINING 7, 8-DIHYDRO-8-OXOGUANINE | Descriptor: | DNA (5'-D(*CP*CP*AP*(8OG)P*CP*GP*CP*TP*GP*G)-3') | Authors: | Lipscomb, L.A, Peek, M.E, Morningstar, M.L, Verghis, S.M, Miller, E.M, Rich, A, Essigmann, J.M, Williams, L.D. | Deposit date: | 1994-08-01 | Release date: | 1995-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray structure of a DNA decamer containing 7,8-dihydro-8-oxoguanine. Proc.Natl.Acad.Sci.USA, 92, 1995
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2QZU
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![BU of 2qzu by Molmil](/molmil-images/mine/2qzu) | Crystal structure of the putative sulfatase yidJ from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR123 | Descriptor: | Putative sulfatase yidJ | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-08-17 | Release date: | 2007-09-04 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray crystal structure of the putative sulfatase yidJ from Bacteroides fragilis. To be Published
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2R69
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![BU of 2r69 by Molmil](/molmil-images/mine/2r69) | Crystal structure of Fab 1A1D-2 complexed with E-DIII of Dengue virus at 3.8 angstrom resolution | Descriptor: | Heavy chain of 1A1D-2, Light chain of 1A1D-2, Major envelope protein E | Authors: | Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2007-09-05 | Release date: | 2007-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins. Nat.Struct.Mol.Biol., 15, 2008
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