7AUY
 
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7AT3
 | | Structure of EstD11 in complex with Naproxen and methanol | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ... | | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | | Deposit date: | 2020-10-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
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7ATD
 | | Structure of inactive EstD11 S144A in complex with methyl-naproxen | | Descriptor: | ACETATE ION, EstD11 S144A, FORMIC ACID, ... | | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | | Deposit date: | 2020-10-29 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
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7AT2
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6XWZ
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7Z6I
 | | Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | | Descriptor: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-11 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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7Z9T
 | | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-21 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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2XWY
 | | Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | | Descriptor: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Di Marco, S, Baiocco, P. | | Deposit date: | 2010-11-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
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2O4G
 | | Structure of TREX1 in complex with a nucleotide | | Descriptor: | MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, Three prime repair exonuclease 1 | | Authors: | Brucet, M, Macias, M.J, Fita, I, Celada, A. | | Deposit date: | 2006-12-04 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the dimeric exonuclease TREX1 in complex with DNA displays a proline-rich binding site for WW Domains.
J.Biol.Chem., 282, 2007
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2O4I
 | | Structure of TREX1 in complex with DNA | | Descriptor: | 5'-D(*GP*CP*TP*AP*GP*GP*CP*AP*GP*GP*AP*AP*CP*CP*CP*CP*TP*CP*CP*TP*CP*CP*CP*CP*T)-3', Three prime repair exonuclease 1 | | Authors: | Brucet, M, Macias, M.J, Fita, I, Celada, A. | | Deposit date: | 2006-12-04 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the dimeric exonuclease TREX1 in complex with DNA displays a proline-rich binding site for WW Domains.
J.Biol.Chem., 282, 2007
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2KAA
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2QK7
 | | A covalent S-F heterodimer of staphylococcal gamma-hemolysin | | Descriptor: | Gamma-hemolysin component A, Gamma-hemolysin component B | | Authors: | Roblin, P, Guillet, V, Maveyraud, L, Mourey, L. | | Deposit date: | 2007-07-10 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A covalent S-F heterodimer of leucotoxin reveals molecular plasticity of beta-barrel pore-forming toxins.
Proteins, 71, 2008
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3KNA
 | | M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA | | Descriptor: | 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | | Deposit date: | 2009-11-12 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
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6H5R
 | | Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I) | | Descriptor: | Human Telomeric DNA, POTASSIUM ION, STRONTIUM ION, ... | | Authors: | Bazzicalupi, C, Gratteri, P, Papi, F. | | Deposit date: | 2018-07-25 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis.
Dalton Trans, 47, 2018
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3KMQ
 | | G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA, tetragonal structure | | Descriptor: | 3D polymerase, RNA (5'-R(*GP*GP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*C)-3') | | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | | Deposit date: | 2009-11-11 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
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3KMS
 | | G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA trigonal structure | | Descriptor: | 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | | Deposit date: | 2009-11-11 | | Release date: | 2010-07-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
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3KOA
 | | M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA and GTP | | Descriptor: | 3D polymerase, DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | | Deposit date: | 2009-11-13 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
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5N8X
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5N95
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2N9T
 | | NMR solution structure of ProTx-II | | Descriptor: | Beta/omega-theraphotoxin-Tp2a | | Authors: | Schroeder, C.I. | | Deposit date: | 2015-12-08 | | Release date: | 2016-07-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Interaction of Tarantula Venom Peptide ProTx-II with Lipid Membranes Is a Prerequisite for Its Inhibition of Human Voltage-gated Sodium Channel NaV1.7.
J.Biol.Chem., 291, 2016
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6YEJ
 | | Cryo-EM structure of the Full-length disease type human Huntingtin | | Descriptor: | Huntingtin | | Authors: | Tame, G, Jung, T, Dal Perraro, M, Hebert, H, Song, J. | | Deposit date: | 2020-03-24 | | Release date: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (18.200001 Å) | | Cite: | The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
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1C82
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6RMH
 | | The Rigid-body refined model of the normal Huntingtin. | | Descriptor: | Huntingtin | | Authors: | Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J. | | Deposit date: | 2019-05-06 | | Release date: | 2020-06-03 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (9.6 Å) | | Cite: | The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
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1OJO
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1OJN
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