7AUY
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7AT3
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![BU of 7at3 by Molmil](/molmil-images/mine/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
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![BU of 7atd by Molmil](/molmil-images/mine/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
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![BU of 7z6i by Molmil](/molmil-images/mine/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
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![BU of 7z9t by Molmil](/molmil-images/mine/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
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![BU of 2xwy by Molmil](/molmil-images/mine/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
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![BU of 2o4g by Molmil](/molmil-images/mine/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
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![BU of 2o4i by Molmil](/molmil-images/mine/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
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![BU of 2qk7 by Molmil](/molmil-images/mine/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
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![BU of 3kna by Molmil](/molmil-images/mine/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
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![BU of 6h5r by Molmil](/molmil-images/mine/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
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![BU of 3kmq by Molmil](/molmil-images/mine/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
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![BU of 3kms by Molmil](/molmil-images/mine/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
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![BU of 3koa by Molmil](/molmil-images/mine/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
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![BU of 2n9t by Molmil](/molmil-images/mine/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
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![BU of 6yej by Molmil](/molmil-images/mine/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
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![BU of 6rmh by Molmil](/molmil-images/mine/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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