5FOY
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![BU of 5foy by Molmil](/molmil-images/mine/5foy) | De novo structure of the binary mosquito larvicide BinAB at pH 7 | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2015-11-26 | Release date: | 2016-10-05 | Last modified: | 2019-08-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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5CVZ
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1NJS
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![BU of 1njs by Molmil](/molmil-images/mine/1njs) | human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid | Descriptor: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase | Authors: | Zhang, Y, Desharnais, J, Marsilje, T.H, Li, C, Hedrick, M.P, Gooljarsingh, L.T, Tavassoli, A, Benkovic, S.J, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-01-02 | Release date: | 2003-06-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Rational Design, Synthesis, Evaluation, and Crystal Structure of a Potent Inhibitor of Human GAR Tfase: 10-(Trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic Acid Biochemistry, 42, 2003
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5WUE
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![BU of 5wue by Molmil](/molmil-images/mine/5wue) | Structural basis for conductance through TRIC cation channels | Descriptor: | SULFATE ION, Uncharacterized protein | Authors: | Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2016-12-17 | Release date: | 2017-06-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for conductance through TRIC cation channels. Nat Commun, 8, 2017
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5KN7
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![BU of 5kn7 by Molmil](/molmil-images/mine/5kn7) | Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ... | Authors: | Dovala, D.L, Hu, Q, Metzger IV, L.E. | Deposit date: | 2016-06-27 | Release date: | 2016-09-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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5CW0
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5EGM
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![BU of 5egm by Molmil](/molmil-images/mine/5egm) | Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5A58
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![BU of 5a58 by Molmil](/molmil-images/mine/5a58) | The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism. J.Biol.Chem., 290, 2015
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1Q5B
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![BU of 1q5b by Molmil](/molmil-images/mine/1q5b) | lambda-shaped TRANS and CIS interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | He, W, Cowin, P, Stokes, D.L. | Deposit date: | 2003-08-06 | Release date: | 2003-10-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (30 Å) | Cite: | Untangling Desmosomal Knots with Electron Tomography Science, 302, 2003
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1NPP
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![BU of 1npp by Molmil](/molmil-images/mine/1npp) | CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN P2(1) | Descriptor: | ISOPROPYL ALCOHOL, Transcription antitermination protein nusG | Authors: | Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzahn, K.M, Waugh, D.S, Court, D.L, Ji, X. | Deposit date: | 2003-01-18 | Release date: | 2003-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Spring-Loaded State of NusG in Its Functional Cycle Is Suggested by X-ray Crystallography and Supported by
Site-Directed Mutants Biochemistry, 42, 2003
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1KZF
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![BU of 1kzf by Molmil](/molmil-images/mine/1kzf) | Crystal Structure of the Acyl-homoserine Lactone Synthase, EsaI | Descriptor: | acyl-homoserinelactone synthase EsaI | Authors: | Watson, W.T, Minogue, T.D, Val, D.L, Beck von Bodman, S, Churchill, M.E.A. | Deposit date: | 2002-02-06 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis and specificity of acyl-homoserine lactone signal production in bacterial quorum sensing. Mol.Cell, 9, 2002
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1NO4
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![BU of 1no4 by Molmil](/molmil-images/mine/1no4) | Crystal Structure of the pre-assembly scaffolding protein gp7 from the double-stranded DNA bacteriophage phi29 | Descriptor: | HEAD MORPHOGENESIS PROTEIN | Authors: | Morais, M.C, Kanamaru, S, Badasso, M.O, Koti, J.S, Owen, B.A.L, McMurray, C.T, Anderson, D.L, Rossmann, M.G. | Deposit date: | 2003-01-15 | Release date: | 2003-07-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bacteriophage f29 scaffolding protein gp7 before and after prohead assembly Nat.Struct.Biol., 10, 2003
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5KNK
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![BU of 5knk by Molmil](/molmil-images/mine/5knk) | Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii with catalytic residue substitution (E127A) | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ... | Authors: | Dovala, D.L, Hu, Q, Metzger IV, L.E. | Deposit date: | 2016-06-28 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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5YZV
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![BU of 5yzv by Molmil](/molmil-images/mine/5yzv) | Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA | Descriptor: | Probable serine/threonine-protein kinase PkwA | Authors: | Li, D.Y, Shen, C, Du, Y, Qiao, F.F, Kong, T, Yuan, L.R, Zhang, D.L, Wu, X.H, Wu, Y.D. | Deposit date: | 2017-12-15 | Release date: | 2018-10-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA Sci Rep, 8, 2018
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1OD0
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![BU of 1od0 by Molmil](/molmil-images/mine/1od0) | Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | BETA-GLUCOSIDASE A | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-02-12 | Release date: | 2003-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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5XU7
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![BU of 5xu7 by Molmil](/molmil-images/mine/5xu7) | Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) | Descriptor: | CHLORIDE ION, GLYCEROL, Holo-[acyl-carrier-protein] synthase | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | Deposit date: | 2017-06-22 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria To Be Published
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5DG5
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![BU of 5dg5 by Molmil](/molmil-images/mine/5dg5) | CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157 | Descriptor: | Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide | Authors: | Smith, B.D, Kaufman, M.D, Leary, C.B, Turner, B.A, Wise, S.A, Ahn, Y.M, Booth, R.J, Caldwell, T.M, Ensinger, C.L, Hood, M.M, Lu, W.-P, Patt, T.W, Patt, W.C, Rutkoski, T.J, Samarakoon, T, Telikepalli, H, Vogeti, L, Vogeti, S, Yates, K.M, Chun, L, Stewart, L.J, Clare, M, Flynn, D.L. | Deposit date: | 2015-08-27 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance via Balanced Inhibition of MET, TIE2, and VEGFR2. Mol.Cancer Ther., 14, 2015
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1QPP
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1QPX
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5G37
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![BU of 5g37 by Molmil](/molmil-images/mine/5g37) | MR structure of the binary mosquito larvicide BinAB at pH 5 | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2016-04-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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1K4J
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![BU of 1k4j by Molmil](/molmil-images/mine/1k4j) | Crystal Structure of the Acyl-homoserinelactone Synthase EsaI Complexed with Rhenate | Descriptor: | PERRHENATE, acyl-homoserinelactone synthase EsaI | Authors: | Watson, W.T, Minogue, T.D, Val, D.L, Beck von Bodman, S, Churchill, M.E.A. | Deposit date: | 2001-10-08 | Release date: | 2002-04-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis and specificity of acyl-homoserine lactone signal production in bacterial quorum sensing. Mol.Cell, 9, 2002
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1N0Q
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1N1H
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![BU of 1n1h by Molmil](/molmil-images/mine/1n1h) | Initiation complex of polymerase lambda3 from reovirus | Descriptor: | 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 5'-R(*AP*UP*UP*AP*GP*C)-3', ... | Authors: | Tao, Y, Farsetta, D.L, Nibert, M.L, Harrison, S.C. | Deposit date: | 2002-10-17 | Release date: | 2002-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | RNA Synthesis in a Cage--Structural Studies of Reovirus Polymerase [lambda] 3 Cell(Cambridge,Mass.), 111, 2002
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5IJC
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![BU of 5ijc by Molmil](/molmil-images/mine/5ijc) | The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
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1NCE
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![BU of 1nce by Molmil](/molmil-images/mine/1nce) | Crystal structure of a ternary complex of E. coli thymidylate synthase D169C with dUMP and the antifolate CB3717 | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2002-12-05 | Release date: | 2002-12-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The only active mutant of thymidylate synthase D169, a residue far from the
site of methyl transfer, demonstrates the exquisite nature of enzyme
specificity. Protein Eng., 16, 2003
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