6ZJM
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![BU of 6zjm by Molmil](/molmil-images/mine/6zjm) | Atomic model of Andes virus glycoprotein spike tetramer generated by fitting into a Tula virus reconstruction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein, ... | Authors: | Stass, R, Huiskonen, J.T, Rey, F, Guardado-Calvo, P. | Deposit date: | 2020-06-29 | Release date: | 2020-10-14 | Last modified: | 2020-10-28 | Method: | ELECTRON MICROSCOPY (11.4 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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3HB9
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![BU of 3hb9 by Molmil](/molmil-images/mine/3hb9) | Crystal Structure of S. aureus Pyruvate Carboxylase A610T Mutant | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Tong, L, Yu, L.P.C. | Deposit date: | 2009-05-04 | Release date: | 2009-06-30 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A. Structure, 17, 2009
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4OCZ
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![BU of 4ocz by Molmil](/molmil-images/mine/4ocz) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea | Descriptor: | 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
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5D01
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![BU of 5d01 by Molmil](/molmil-images/mine/5d01) | |
6QKQ
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![BU of 6qkq by Molmil](/molmil-images/mine/6qkq) | |
6Z5E
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![BU of 6z5e by Molmil](/molmil-images/mine/6z5e) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 To Be Published
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6QKP
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6Q4Q
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![BU of 6q4q by Molmil](/molmil-images/mine/6q4q) | The Crystal structure of CK2a bound to P2-C4 | Descriptor: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ... | Authors: | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | Deposit date: | 2018-12-06 | Release date: | 2019-04-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction. Chem Sci, 10, 2019
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6ZDL
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![BU of 6zdl by Molmil](/molmil-images/mine/6zdl) | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG and hexatungstotellurate(VI) TEW | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 6-tungstotellurate(VI), ... | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | Deposit date: | 2020-06-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
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3HI1
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![BU of 3hi1 by Molmil](/molmil-images/mine/3hi1) | Structure of HIV-1 gp120 (core with V3) in Complex with CD4-Binding-Site Antibody F105 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F105 Heavy Chain, F105 Light Chain, ... | Authors: | Kwon, Y.D, Chen, L, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z, Zhang, M.-Y, Arthos, J, Burton, D.R, Dimitrov, D, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | Deposit date: | 2009-05-18 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
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6ZJ1
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![BU of 6zj1 by Molmil](/molmil-images/mine/6zj1) | Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with tetrasaccharide N-glycan fragment and hexatungstotellurate(VI) TEW | Descriptor: | 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, MAGNESIUM ION, ... | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | Deposit date: | 2020-06-27 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
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7LPN
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![BU of 7lpn by Molmil](/molmil-images/mine/7lpn) | |
6ZJ5
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![BU of 6zj5 by Molmil](/molmil-images/mine/6zj5) | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcDMJ and hexatungstotellurate(VI) TEW | Descriptor: | 1-DEOXYMANNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-tungstotellurate(VI), ... | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | Deposit date: | 2020-06-27 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.269 Å) | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZJE
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![BU of 6zje by Molmil](/molmil-images/mine/6zje) | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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5CZ2
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![BU of 5cz2 by Molmil](/molmil-images/mine/5cz2) | Crystal structure of a two-domain fragment of MMTV integrase | Descriptor: | MAGNESIUM ION, Pol polyprotein, ZINC ION | Authors: | Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | Deposit date: | 2015-07-31 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016
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3HGF
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![BU of 3hgf by Molmil](/molmil-images/mine/3hgf) | Expression, purification, spectroscopical and crystallographical studies of segments of the nucleotide binding domain of the reticulocyte binding protein Py235 of Plasmodium yoelii | Descriptor: | Rhoptry protein fragment | Authors: | Gruber, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Jeyakanthan, J, Preiser, P.R, Gruber, G. | Deposit date: | 2009-05-13 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural determination of functional units of the nucleotide binding domain (NBD94) of the reticulocyte binding protein Py235 of Plasmodium yoelii Plos One, 5, 2010
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7M0N
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![BU of 7m0n by Molmil](/molmil-images/mine/7m0n) | The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir | Descriptor: | GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W. | Deposit date: | 2021-03-11 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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8E14
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![BU of 8e14 by Molmil](/molmil-images/mine/8e14) | Cryo-EM structure of Rous sarcoma virus strand transfer complex | Descriptor: | DNA (42-MER), DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*TP*CP*TP*TP*CP*TP*TP*TP*C)-3'), ... | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | Deposit date: | 2022-08-09 | Release date: | 2023-04-26 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular determinants for Rous sarcoma virus intasome assemblies involved in retroviral integration. J.Biol.Chem., 299, 2023
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2GEX
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![BU of 2gex by Molmil](/molmil-images/mine/2gex) | |
6QZD
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![BU of 6qzd by Molmil](/molmil-images/mine/6qzd) | HLA-DR1 with SGP Influenza Matrix Peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | Deposit date: | 2019-03-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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7LZ3
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![BU of 7lz3 by Molmil](/molmil-images/mine/7lz3) | Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2021-03-08 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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6YUU
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![BU of 6yuu by Molmil](/molmil-images/mine/6yuu) | Crystal structure of M. tuberculosis InhA inhibited by SKTS1 | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | Deposit date: | 2020-04-27 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
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6Z0C
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![BU of 6z0c by Molmil](/molmil-images/mine/6z0c) | Structure of in silico modelled artificial Maquette-3 protein | Descriptor: | Maquette-3, POTASSIUM ION | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-08 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of buried charged networks in artificial proteins Nat Commun, 12, 2021
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6DAO
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![BU of 6dao by Molmil](/molmil-images/mine/6dao) | NahE WT selenomethionine | Descriptor: | Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase | Authors: | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | Deposit date: | 2018-05-01 | Release date: | 2019-05-08 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily. Biochemistry, 57, 2018
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6DO1
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![BU of 6do1 by Molmil](/molmil-images/mine/6do1) | Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ... | Authors: | Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2018-06-08 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody. Cell, 176, 2019
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