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5EKX
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BU of 5ekx by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-11-04
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
1N6J
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BU of 1n6j by Molmil
Structural basis of sequence-specific recruitment of histone deacetylases by Myocyte Enhancer Factor-2
Descriptor: 5'-D(*AP*GP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*CP*T)-3', Calcineurin-binding protein Cabin 1, ...
Authors:Han, A, Pan, F, Stroud, J.C, Youn, H.D, Liu, J.O, Chen, L.
Deposit date:2002-11-11
Release date:2003-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence-specific recruitment of transcriptional co-repressor Cabin1 by myocyte enhancer factor-2
Nature, 422, 2003
6U1N
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BU of 6u1n by Molmil
GPCR-Beta arrestin structure in lipid bilayer
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ...
Authors:Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G.
Deposit date:2019-08-16
Release date:2020-02-26
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
7OZR
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BU of 7ozr by Molmil
Subtomogram average of authentic mumps virus nucleocapsid from HeLa cell lysate of long helical pitch
Descriptor: Nucleocapsid, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
Authors:Mahamid, J, Zhang, X.
Deposit date:2021-06-28
Release date:2023-03-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular mechanisms of stress-induced reactivation in mumps virus condensates.
Cell, 186, 2023
6OEL
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BU of 6oel by Molmil
Engineered Fab bound to IL-4 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, Interleukin-4 receptor subunit alpha, ...
Authors:Jude, K.M, Moraga, I, Spangler, J.B, Garcia, K.C.
Deposit date:2019-03-27
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A strategy for the selection of monovalent antibodies that span protein dimer interfaces.
J.Biol.Chem., 294, 2019
3O96
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BU of 3o96 by Molmil
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
Descriptor: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
Authors:Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-08-03
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
6SYF
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BU of 6syf by Molmil
Human Ubc9 with covalent isopeptide ligand
Descriptor: ACE-ILE-LYS-GLN-GLU, ACE-LEU-ARG-LEU-ARG-GLY-CYS, SUMO-conjugating enzyme UBC9
Authors:Hofmann, R, Akimoto, G, Wucherpfennig, T.G, Zeymer, C, Bode, J.W.
Deposit date:2019-09-27
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysine acylation using conjugating enzymes for site-specific modification and ubiquitination of recombinant proteins.
Nat.Chem., 12, 2020
8ASV
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BU of 8asv by Molmil
Cryo-EM structure of yeast Elongator complex
Descriptor: Elongator complex protein 1, Elongator complex protein 2, Elongator complex protein 3, ...
Authors:Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
Deposit date:2022-08-21
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
3HUB
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BU of 3hub by Molmil
Human p38 MAP Kinase in Complex with Scios-469
Descriptor: 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-06-13
Release date:2010-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
3HUC
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BU of 3huc by Molmil
Human p38 MAP Kinase in Complex with RL40
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ...
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-06-13
Release date:2010-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
6GWS
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BU of 6gws by Molmil
Crystal structure of human PCNA in complex with three p15 peptides
Descriptor: PCNA-associated factor, Proliferating cell nuclear antigen
Authors:De March, M, Merino, N, Gonzalez-Magana, A, Romano-Moreno, M, Onesti, S, Blanco, F.J, De Biasio, A.
Deposit date:2018-06-25
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:p15PAF binding to PCNA modulates the DNA sliding surface.
Nucleic Acids Res., 46, 2018
7UQJ
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BU of 7uqj by Molmil
Cryo-EM structure of the S. cerevisiae chromatin remodeler Yta7 hexamer bound to ATPgS and histone H3 tail in state II
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase histone chaperone YTA7, Histone H3, ...
Authors:Wang, F, Feng, X, Li, H.
Deposit date:2022-04-19
Release date:2023-02-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The Saccharomyces cerevisiae Yta7 ATPase hexamer contains a unique bromodomain tier that functions in nucleosome disassembly.
J.Biol.Chem., 299, 2022
5OP0
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BU of 5op0 by Molmil
Structure of Prim-PolC from Mycobacterium smegmatis
Descriptor: DNA polymerase LigD, polymerase domain
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2017-08-09
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:DNA Ligase C and Prim-PolC participate in base excision repair in mycobacteria.
Nat Commun, 8, 2017
3RGF
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BU of 3rgf by Molmil
Crystal Structure of human CDK8/CycC
Descriptor: 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ...
Authors:Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K.
Deposit date:2011-04-08
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder.
J.Mol.Biol., 412, 2011
1HRH
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BU of 1hrh by Molmil
CRYSTAL STRUCTURE OF THE RIBONUCLEASE H DOMAIN OF HIV-1 REVERSE TRANSCRIPTASE
Descriptor: RIBONUCLEASE H
Authors:Davies /II, J.F, Matthews, D.A.
Deposit date:1991-03-06
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the ribonuclease H domain of HIV-1 reverse transcriptase.
Science, 252, 1991
8B52
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BU of 8b52 by Molmil
Usutu virus methyltransferase domain in complex with sinefungin
Descriptor: GLYCEROL, Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
8I53
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BU of 8i53 by Molmil
Solution structure of the PH domain from the Tfb1 subunit of fission yeast TFIIH
Descriptor: General transcription and DNA repair factor IIH subunit tfb1
Authors:Okuda, M, Nishimura, Y.
Deposit date:2023-01-23
Release date:2023-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural polymorphism of the PH domain in TFIIH.
Biosci.Rep., 43, 2023
5FW5
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BU of 5fw5 by Molmil
Crystal structure of human G3BP1 in complex with Semliki Forest Virus nsP3-25 comprising two FGDF motives
Descriptor: ACETATE ION, GLYCEROL, NON-STRUCTURAL PROTEIN 3, ...
Authors:Schulte, T, Liu, L, Panas, M.D, Thaa, B, Goette, B, Achour, A, McInerney, G.M.
Deposit date:2016-02-12
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication.
Open Biol, 6, 2016
7L9P
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BU of 7l9p by Molmil
Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ...
Authors:Xie, W, Patel, D.J.
Deposit date:2021-01-04
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
4LN7
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BU of 4ln7 by Molmil
5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease
Descriptor: 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2013-07-11
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
7K0W
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BU of 7k0w by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease (construct with truncated loop 51-72) in complex with Baloxavir acid
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2020-09-06
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of the influenza virus PA endonuclease in complex with Baloxavir Acid
To Be Published
4MK1
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BU of 4mk1 by Molmil
5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
Descriptor: 1,2-ETHANEDIOL, 5-bromo-3-hydroxypyridin-2(1H)-one, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
7ZWA
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BU of 7zwa by Molmil
CryoEM structure of Ku heterodimer bound to DNA and PAXX
Descriptor: DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*T)-3'), PHOSPHATE ION, ...
Authors:Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
Deposit date:2022-05-19
Release date:2023-05-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7ZYG
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BU of 7zyg by Molmil
CryoEM structure of Ku heterodimer bound to DNA, PAXX and XLF
Descriptor: DNA, Non-homologous end-joining factor 1, PHOSPHATE ION, ...
Authors:Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
6PTO
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BU of 6pto by Molmil
Structure of Ctf4 trimer in complex with three CMG helicases
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ...
Authors:Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
Deposit date:2019-07-16
Release date:2019-11-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019

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