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PDB: 51938 results

8JCE
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BU of 8jce by Molmil
Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GpppAmU
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Zhang, K, Law, M.C.Y, Nguyen, T.M, Tan, Y.B, Wirawan, M, Law, Y.S, Luo, D.H.
Deposit date:2023-05-11
Release date:2023-11-15
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Chikungunya virus nonstructural protein 1 is a versatile RNA capping and decapping enzyme.
J.Biol.Chem., 299, 2023
9AXN
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BU of 9axn by Molmil
Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_Mu Fab in Complex with Fentanyl
Descriptor: 1,2-ETHANEDIOL, HY11-6B2_Mu Fab Heavy Chain, HY11-6B2_Mu Fab Light Chain, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9CSY
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BU of 9csy by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to PF-07957472
Descriptor: 2-methyl-5-(4-methylpiperazin-1-yl)-N-{1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}benzamide, Papain-like protease, ZINC ION, ...
Authors:Mashalidis, E.H, Chang, J.S, Wu, H, Garnsey, M.
Deposit date:2024-07-24
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Discovery of SARS-CoV-2 papain-like protease (PL pro ) inhibitors with efficacy in a murine infection model.
Sci Adv, 10, 2024
6WX1
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BU of 6wx1 by Molmil
Antigen Binding Fragment of OKT9
Descriptor: GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain
Authors:Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C.
Deposit date:2020-05-09
Release date:2021-05-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain.
J.Virol., 95, 2021
7OXD
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BU of 7oxd by Molmil
Crystal structure of Scytonema hofmanni transposition protein TniQ
Descriptor: ShTniQ, ZINC ION
Authors:Querques, I, Jinek, M.
Deposit date:2021-06-22
Release date:2021-12-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Target site selection and remodelling by type V CRISPR-transposon systems.
Nature, 599, 2021
3C8G
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BU of 3c8g by Molmil
Crystal structure of a possible transciptional regulator YggD from Shigella flexneri 2a str. 2457T
Descriptor: ACETATE ION, Putative transcriptional regulator
Authors:Tan, K, Borovilos, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-12
Release date:2008-02-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The mannitol operon repressor MtlR belongs to a new class of transcription regulators in bacteria.
J.Biol.Chem., 284, 2009
4QX3
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BU of 4qx3 by Molmil
Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the CrystFEL software suite
Descriptor: Pesticidal crystal protein cry3Aa
Authors:Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
Deposit date:2014-07-17
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
8JED
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BU of 8jed by Molmil
Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors
Descriptor: mRNA-capping enzyme regulatory subunit OPG124
Authors:Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X.
Deposit date:2023-05-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors.
Int.J.Biol.Macromol., 253, 2023
4R0R
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BU of 4r0r by Molmil
Ebolavirus GP Prehairpin Intermediate Mimic
Descriptor: eboIZN21
Authors:Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S.
Deposit date:2014-08-01
Release date:2014-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
7A46
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BU of 7a46 by Molmil
small conductance mechanosensitive channel YbiO
Descriptor: Putative transport protein
Authors:Flegler, V.J, Rasmussen, A, Rao, S, Wu, N, Zenobi, R, Sansom, M.S.P, Hedrich, R, Rasmussen, T, Boettcher, B.
Deposit date:2020-08-19
Release date:2020-11-18
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The MscS-like channel YnaI has a gating mechanism based on flexible pore helices.
Proc.Natl.Acad.Sci.USA, 117, 2020
8GQC
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BU of 8gqc by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution)
Descriptor: Papain-like protease nsp3
Authors:Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
6WWB
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BU of 6wwb by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b
Descriptor: 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2020-05-08
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
7P3A
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BU of 7p3a by Molmil
N-terminal domain of CGI-99
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
Authors:Kroupova, A, Jinek, M.
Deposit date:2021-07-07
Release date:2021-12-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular architecture of the human tRNA ligase complex.
Elife, 10, 2021
8DK2
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BU of 8dk2 by Molmil
CryoEM structure of Pseudomonas aeruginosa PA14 JetABC in an unclamped state trapped in ATP dependent dimeric form
Descriptor: DNA (26-MER), JetA, JetB, ...
Authors:Deep, A, Gu, Y, Gao, Y, Ego, K, Herzik, M, Zhou, H, Corbett, K.
Deposit date:2022-07-01
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The SMC-family Wadjet complex protects bacteria from plasmid transformation by recognition and cleavage of closed-circular DNA.
Mol.Cell, 82, 2022
6ZMK
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BU of 6zmk by Molmil
Crystal structure of human GFAT-1 L405R
Descriptor: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
Authors:Ruegenberg, S, Mayr, F, Miethe, S, Atanassov, I, Baumann, U, Denzel, M.S.
Deposit date:2020-07-02
Release date:2020-08-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1.
Nat Commun, 12, 2021
8DK3
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BU of 8dk3 by Molmil
CryoEM structure of Pseudomonas aeruginosa PA14 JetC ATPase domain bound to DNA and cWHD domain of JetA
Descriptor: DNA (26-MER), JetA, JetC, ...
Authors:Deep, A, Gu, Y, Gao, Y, Ego, K, Herzik, M, Zhou, H, Corbett, K.
Deposit date:2022-07-01
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:The SMC-family Wadjet complex protects bacteria from plasmid transformation by recognition and cleavage of closed-circular DNA.
Mol.Cell, 82, 2022
6RY5
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BU of 6ry5 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,6-mannobiose
Descriptor: CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, TRIETHYLENE GLYCOL, ...
Authors:Essen, L.-O, Vogt, M.S.
Deposit date:2019-06-10
Release date:2020-08-12
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
7P3B
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BU of 7p3b by Molmil
Human RNA ligase RTCB in complex with GMP and Co(II)
Descriptor: ACETATE ION, COBALT (II) ION, FORMIC ACID, ...
Authors:Kroupova, A, Ackle, F, Jinek, M.
Deposit date:2021-07-07
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular architecture of the human tRNA ligase complex.
Elife, 10, 2021
6RY6
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BU of 6ry6 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with glucosamine
Descriptor: 2-amino-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ...
Authors:Essen, L.-O, Vogt, M.S.
Deposit date:2019-06-10
Release date:2020-08-12
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
10MH
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BU of 10mh by Molmil
TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET
Descriptor: DNA (5'-D(P*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*5NCP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), ...
Authors:Sheikhnejad, G, Brank, A, Christman, J.K, Goddard, A, Alvarez, E, Ford Junior, H, Marquez, V.E, Marasco, C.J, Sufrin, J.R, O'Gara, M, Cheng, X.
Deposit date:1998-08-10
Release date:1999-02-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Mechanism of inhibition of DNA (cytosine C5)-methyltransferases by oligodeoxyribonucleotides containing 5,6-dihydro-5-azacytosine.
J.Mol.Biol., 285, 1999
6X6P
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BU of 6x6p by Molmil
Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C.
Deposit date:2020-05-28
Release date:2020-06-10
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
116D
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BU of 116d by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF THE A-DNA DODECAMER D(CCGTACGTACGG): CHOICE OF FRAGMENT HELICAL AXIS
Descriptor: DNA (5'-D(*CP*CP*GP*TP*AP*CP*GP*TP*AP*CP*GP*G)-3')
Authors:Bingman, C.A, Zon, G, Sundaralingam, M.
Deposit date:1993-02-10
Release date:1993-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal and molecular structure of the A-DNA dodecamer d(CCGTACGTACGG). Choice of fragment helical axis.
J.Mol.Biol., 227, 1992
117D
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BU of 117d by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF THE ALTERNATING DODECAMER D(GCGTACGTACGC) IN THE A-DNA FORM: COMPARISON WITH THE ISOMORPHOUS NON-ALTERNATING DODECAMER D(CCGTACGTACGG)
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*TP*AP*CP*GP*C)-3')
Authors:Bingman, C.A, Jain, S, Zon, G, Sundaralingam, M.
Deposit date:1993-02-10
Release date:1993-04-15
Last modified:2023-03-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal and molecular structure of the alternating dodecamer d(GCGTACGTACGC) in the A-DNA form: comparison with the isomorphous non-alternating dodecamer d(CCGTACGTACGG).
Nucleic Acids Res., 20, 1992
6XFK
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BU of 6xfk by Molmil
Crystal structure of the type III secretion system pilotin-secretin complex InvH-InvG
Descriptor: SULFATE ION, Type 3 secretion system pilotin, Type 3 secretion system secretin
Authors:Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J.
Deposit date:2020-06-15
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
1AK9
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BU of 1ak9 by Molmil
SUBTILISIN MUTANT 8321
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Whitlow, M, Howard, A.J, Wood, J.F.
Deposit date:1997-05-30
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989

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