4YQE
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![BU of 4yqe by Molmil](/molmil-images/mine/4yqe) | Crystal structure of E. coli WrbA in complex with benzoquinone | Descriptor: | 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | Authors: | Degtjarik, O, Brynda, J, Ettrichova, O, Carey, J, Kuta Smatanova, I, Ettrich, R. | Deposit date: | 2015-03-13 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. J.Phys.Chem.B, 120, 2016
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5JBK
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![BU of 5jbk by Molmil](/molmil-images/mine/5jbk) | Trichoderma harzianum GH1 beta-glucosidase ThBgl1 | Descriptor: | Beta-glucosidase, GLYCEROL | Authors: | Florindo, R.N, Mutti, H.S, Polikarpov, I, Nascimento, A.S. | Deposit date: | 2016-04-13 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | Structural insights into beta-glucosidase transglycosylation based on biochemical, structural and computational analysis of two GH1 enzymes from Trichoderma harzianum. N Biotechnol, 40, 2018
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4GXQ
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![BU of 4gxq by Molmil](/molmil-images/mine/4gxq) | Crystal Structure of ATP bound RpMatB-BxBclM chimera B1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2012-09-04 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Substrate Specificity of the Rhodopseudomonas palustris Protein Acetyltransferase RpPat: IDENTIFICATION OF A LOOP CRITICAL FOR RECOGNITION BY RpPat. J.Biol.Chem., 287, 2012
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4GQN
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![BU of 4gqn by Molmil](/molmil-images/mine/4gqn) | Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, Riboflavin synthase subunit alpha | Authors: | Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S. | Deposit date: | 2012-08-23 | Release date: | 2014-03-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility. Acta Crystallogr.,Sect.D, 70, 2014
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6MEE
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![BU of 6mee by Molmil](/molmil-images/mine/6mee) | Crystal structure of broadly neutralizing antibody HEPC74 | Descriptor: | antibody HEPC74 Heavy Chain, antibody HEPC74 Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J. | Deposit date: | 2018-09-06 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design. Cell Host Microbe, 24, 2018
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4YPN
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6LRA
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![BU of 6lra by Molmil](/molmil-images/mine/6lra) | The complex structure of PHF core domain peptide of tau and antibody's Fab domain. | Descriptor: | Fab Heavy Chain, Fab Light Chain, VQIINK | Authors: | Tomohiro, T, Kouki, S, Tomohiro, S, Takahiro, T, Katsushiro, M, Yasuko, I, Katsuhiko, M, Taizo, T, Toshimitsu, I, Koji, T. | Deposit date: | 2020-01-15 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the human tau PHF core domain VQIINK complexed with the Fab domain of monoclonal antibody Tau2r3. Febs Lett., 2020
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4YUH
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![BU of 4yuh by Molmil](/molmil-images/mine/4yuh) | Multiconformer synchrotron model of CypA at 150 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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5JFU
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![BU of 5jfu by Molmil](/molmil-images/mine/5jfu) | HIV-1 wild Type protease with GRL-007-14A (a Adamantane P1-Ligand with bis-THF in P2 and benzylamine in P1') | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, CHLORIDE ION, Protease | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2016-04-19 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation. J.Med.Chem., 59, 2016
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2YBJ
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6J7V
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6SMD
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![BU of 6smd by Molmil](/molmil-images/mine/6smd) | PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase | Descriptor: | Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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4YUO
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![BU of 4yuo by Molmil](/molmil-images/mine/4yuo) | High-resolution multiconformer synchrotron model of CypA at 273 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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4GZP
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![BU of 4gzp by Molmil](/molmil-images/mine/4gzp) | N2 Neuraminidase of A/Tanzania/205/2010 H3N2 in complex with oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2012-09-06 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors. J.Virol., 86, 2012
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6SNW
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![BU of 6snw by Molmil](/molmil-images/mine/6snw) | Structure of Coxsackievirus A10 complexed with its receptor KREMEN1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ... | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-27 | Release date: | 2020-01-15 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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5J8X
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![BU of 5j8x by Molmil](/molmil-images/mine/5j8x) | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2016-04-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
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6SV9
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![BU of 6sv9 by Molmil](/molmil-images/mine/6sv9) | Non-terahertz irradiated structure of bovine trypsin (even frames of crystal x40) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-18 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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6SY1
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![BU of 6sy1 by Molmil](/molmil-images/mine/6sy1) | Crystal structure of the human 2-oxoadipate dehydrogenase DHTKD1 (E1) | Descriptor: | MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, ... | Authors: | Bezerra, G.A, Foster, W, Shrestha, L, Pena, I.A, Coker, J, Kolker, S, Nicola, B.B, von Delft, F, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure and interaction studies of human DHTKD1 provide insight into a mitochondrial megacomplex in lysine catabolism. Iucrj, 7, 2020
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2YDG
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![BU of 2ydg by Molmil](/molmil-images/mine/2ydg) | Ascorbate co-crystallized HEWL. | Descriptor: | ASCORBIC ACID, Lysozyme C, SODIUM ION | Authors: | De la Mora, E, Carmichael, I, Garman, E.F. | Deposit date: | 2011-03-19 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals. J.Synchrotron.Radiat., 18, 2011
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4YUJ
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![BU of 4yuj by Molmil](/molmil-images/mine/4yuj) | Multiconformer synchrotron model of CypA at 240 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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6IWY
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2Y9Q
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![BU of 2y9q by Molmil](/molmil-images/mine/2y9q) | Crystal structure of human ERK2 complexed with a MAPK docking peptide | Descriptor: | MAP KINASE-INTERACTING SERINE/THREONINE-PROTEIN KINASE 1, MITOGEN-ACTIVATED PROTEIN KINASE 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Barkai, T, Garai, A, Toeroe, I, Remenyi, A. | Deposit date: | 2011-02-16 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
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2YBN
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4FNK
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6SNB
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![BU of 6snb by Molmil](/molmil-images/mine/6snb) | Structure of Coxsackievirus A10 A-particle | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-23 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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