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| Open AccessMolecular Basis of Differential Stability and Temperature Sensitivity of ZIKA versus Dengue Virus Protein Shells
- Chinmai Pindi
- , Venkat R. Chirasani
- & Sanjib Senapati
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| Open AccessAn automated data processing and analysis pipeline for transmembrane proteins in detergent solutions
- Dmitry S. Molodenskiy
- , Haydyn D. T. Mertens
- & Dmitri I. Svergun
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| Open AccessDynamic plasticity of the lipid antigen-binding site of CD1d is crucially favoured by acidic pH and helper proteins
- Bruno Cuevas-Zuviría
- , Marina Mínguez-Toral
- & Luis F. Pacios
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| Open AccessN-Phenethyl Substitution in 14-Methoxy-N-methylmorphinan-6-ones Turns Selective µ Opioid Receptor Ligands into Dual µ/δ Opioid Receptor Agonists
- Maria Dumitrascuta
- , Marcel Bermudez
- & Mariana Spetea
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| Open AccessInhibition of the activity of HIV-1 protease through antibody binding and mutations probed by molecular dynamics simulations
- Apoorva Badaya
- & Yellamraju U. Sasidhar
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| Open AccessT-Cell Receptor Variable β Domains Rigidify During Affinity Maturation
- Monica L. Fernández-Quintero
- , Clarissa A. Seidler
- & Klaus R. Liedl
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| Open AccessDeep Evolutionary History of the Phox and Bem1 (PB1) Domain Across Eukaryotes
- Sumanth Kumar Mutte
- & Dolf Weijers
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| Open AccessComplex approach for analysis of snake venom α-neurotoxins binding to HAP, the high-affinity peptide
- Denis S. Kudryavtsev
- , Valentin М. Tabakmakher
- & Victor I. Tsetlin
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| Open AccessEvolved Fusarium oxysporum laccase expressed in Saccharomyces cerevisiae
- Natalia Kwiatos
- , Marzena Jędrzejczak-Krzepkowska
- & Stanisław Bielecki
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| Open AccessStructural characterization of Kannurin isoforms and evaluation of the role of β-hydroxy fatty acid tail length in functional specificity
- Shabeer Ali H.
- , Ajesh K.
- & Sreejith K.
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| Open AccessConversion of chemical to mechanical energy by the nucleotide binding domains of ABCB1
- Dániel Szöllősi
- , Peter Chiba
- & Thomas Stockner
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| Open AccessStructure guided prediction of Pyrazinamide resistance mutations in pncA
- Malancha Karmakar
- , Carlos H. M. Rodrigues
- & David B. Ascher
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Article
| Open AccessCharacterization and diversity of the complete set of GH family 3 enzymes from Rhodothermus marinus DSM 4253
- Kazi Zubaida Gulshan Ara
- , Anna Månberger
- & Eva Nordberg Karlsson
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| Open AccessActivation of RSK by phosphomimetic substitution in the activation loop is prevented by structural constraints
- Desiana Somale
- , Giovanna Di Nardo
- & Paolo Armando Gagliardi
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| Open AccessMolecular Dynamics model of peptide-protein conjugation: case study of covalent complex between Sos1 peptide and N-terminal SH3 domain from Grb2
- Dmitrii A. Luzik
- , Olga N. Rogacheva
- & Nikolai R. Skrynnikov
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Article
| Open AccessCosolvent Analysis Toolkit (CAT): a robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome
- Francesc Sabanés Zariquiey
- , João V. de Souza
- & Agnieszka K. Bronowska
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Article
| Open AccessAtomistic simulation of carbohydrate-protein complex formation: Hevein-32 domain
- Charles Oluremi Solanke
- , Dalibor Trapl
- & Vojtěch Spiwok
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| Open AccessCharacterization of the enzymatic activity of the serine protease domain of Factor VII activating protease (FSAP)
- Nis V. Nielsen
- , Elfie Roedel
- & Sandip M. Kanse
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Article
| Open AccessStructural studies of the MMP-3 interaction with triple-helical collagen introduce new roles for the enzyme in tissue remodelling
- Szymon W. Manka
- , Dominique Bihan
- & Richard W. Farndale
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| Open AccessCalculation of absolute binding free energies between the hERG channel and structurally diverse drugs
- Tatsuki Negami
- , Mitsugu Araki
- & Tohru Terada
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Article
| Open AccessComputational design and characterization of nanobody-derived peptides that stabilize the active conformation of the β2-adrenergic receptor (β2-AR)
- Milan Sencanski
- , Sanja Glisic
- & Milka Vrecl
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| Open AccessSpontaneous Ligand Access Events to Membrane-Bound Cytochrome P450 2D6 Sampled at Atomic Resolution
- André Fischer
- & Martin Smieško
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| Open AccessPrediction of Deleterious Non-synonymous SNPs of Human STK11 Gene by Combining Algorithms, Molecular Docking, and Molecular Dynamics Simulation
- Md. Jahirul Islam
- , Akib Mahmud Khan
- & Mohammad A. Halim
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| Open AccessNew opportunities for designing effective small interfering RNAs
- James J. Valdés
- & Andrew D. Miller
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| Open AccessTear Down the Fluorescent Curtain: A New Fluorescence Suppression Method for Raman Microspectroscopic Analyses
- Elena Yakubovskaya
- , Tatiana Zaliznyak
- & Gordon T. Taylor
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| Open AccessMolecular insights into the interaction of hemorphin and its targets
- Amanat Ali
- , Bincy Baby
- & Ranjit Vijayan
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| Open AccessReconstruction of apo A2A receptor activation pathways reveal ligand-competent intermediates and state-dependent cholesterol hotspots
- Silvia Lovera
- , Alberto Cuzzolin
- & Zara A. Sands
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| Open AccessSolution structure of the autophagy-related protein LC3C reveals a polyproline II motif on a mobile tether with phosphorylation site
- Carsten Krichel
- , Christina Möckel
- & Philipp Neudecker
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Article
| Open AccessThe importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target
- Renata Fioravanti Tarabini
- , Luís Fernando Saraiva Macedo Timmers
- & Osmar Norberto de Souza
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| Open AccessAnalysis of mutations leading to para-aminosalicylic acid resistance in Mycobacterium tuberculosis
- Bharati Pandey
- , Sonam Grover
- & Abhinav Grover
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| Open AccessActin Cytoskeletal Reorganization Function of JRAB/MICAL-L2 Is Fine-tuned by Intramolecular Interaction between First LIM Zinc Finger and C-terminal Coiled-coil Domains
- Kazuhisa Miyake
- , Ayuko Sakane
- & Takuya Sasaki
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| Open AccessBiosynthesis of Hyaluronic acid polymer: Dissecting the role of sub structural elements of hyaluronan synthase
- Garima Agarwal
- , Krishnan K. V.
- & Guhan Jayaraman
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| Open AccessOncogenic G12D mutation alters local conformations and dynamics of K-Ras
- Sezen Vatansever
- , Burak Erman
- & Zeynep H. Gümüş
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Article
| Open AccessAn Effective Electric Dipole Model for Voltage-induced Gating Mechanism of Lysenin
- Radwan Al Faouri
- , Eric Krueger
- & Gregory Salamo
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| Open AccessMolecular Modeling of ALK L1198F and/or G1202R Mutations to Determine Differential Crizotinib Sensitivity
- Yu-Chung Chuang
- , Bo-Yen Huang
- & Chia-Ning Yang
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| Open AccessThe effect of high pressure on the NMDA receptor: molecular dynamics simulations
- Alice Bliznyuk
- , Yoram Grossman
- & Yevgeny Moskovitz
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| Open AccessIdentification and Characterization of Genetic Determinants of Isoniazid and Rifampicin Resistance in Mycobacterium tuberculosis in Southern India
- Asma Munir
- , Narender Kumar
- & Sony Malhotra
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| Open AccessDual binding mode of “bitter sugars” to their human bitter taste receptor target
- Fabrizio Fierro
- , Alejandro Giorgetti
- & Mercedes Alfonso-Prieto
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Article
| Open AccessHepatitis C virus sequence divergence preserves p7 viroporin structural and dynamic features
- Benjamin P. Oestringer
- , Juan H. Bolivar
- & Nicole Zitzmann
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| Open AccessFABP1 controls hepatic transport and biotransformation of Δ9-THC
- Matthew W. Elmes
- , Lauren E. Prentis
- & Martin Kaczocha
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| Open AccessCharacterization of the Phosphorylation Site of GRTH/DDX25 and Protein Kinase A Binding Interface Provides Structural Basis for the Design of a Non-Hormonal Male Contraceptive
- Murugananthkumar Raju
- , Sergio A. Hassan
- & Maria L. Dufau
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| Open AccessStructural prerequisites for CRM1-dependent nuclear export signaling peptides: accessibility, adapting conformation, and the stability at the binding site
- Yoonji Lee
- , Jimin Pei
- & Nick V. Grishin
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Article
| Open AccessComputer aided protein engineering to enhance the thermo-stability of CXCR1- T4 lysozyme complex
- Yang Wang
- , Jae-Hyun Park
- & Haiguang Liu
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Article
| Open AccessInhibition of NLRP3 inflammasome activation by cell-permeable stapled peptides
- Arumay Pal
- , Kurt Neo
- & Alessandra Mortellaro
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| Open AccessActivity and structural analysis of GRL-117C: a novel small molecule CCR5 inhibitor active against R5-tropic HIV-1s
- Hirotomo Nakata
- , Kenji Maeda
- & Hiroaki Mitsuya
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| Open AccessInsights into the dynamic nature of the dsRNA-bound TLR3 complex
- Vijayakumar Gosu
- , Seungwoo Son
- & Ki-Duk Song
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Article
| Open AccessA dynamically interacting flexible loop assists oligomerisation of the Caenorhabditis elegans centriolar protein SAS-6
- Julia M. C. Busch
- , Michèle C. Erat
- & Ioannis Vakonakis
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| Open AccessDESTINI: A deep-learning approach to contact-driven protein structure prediction
- Mu Gao
- , Hongyi Zhou
- & Jeffrey Skolnick
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| Open AccessMerits and pitfalls of conventional and covalent docking in identifying new hydroxyl aryl aldehyde like compounds as human IRE1 inhibitors
- Antonio Carlesso
- , Chetan Chintha
- & Leif A. Eriksson