Douglas C. Rees - Related publications

Affiliations: 
California Institute of Technology, Pasadena, CA 
Area:
Protein Structure and Energetics; X-ray Crystallography
Website:
http://www.hhmi.org/research/investigators/rees_bio.html
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
Year Citation  Score
2021 Verburgt J, Kihara D. Benchmarking of structure refinement methods for protein complex models. Proteins. PMID 34309909 DOI: 10.1002/prot.26188   
2021 Zweckstetter M. NMR hawk-eyed view of AlphaFold2 structures. Protein Science : a Publication of the Protein Society. PMID 34469019 DOI: 10.1002/pro.4175   
2021 Ye X, Mayne L, Englander SW. A conserved strategy for structure change and energy transduction in Hsp104 and other AAA+ protein motors. The Journal of Biological Chemistry. 101066. PMID 34384781 DOI: 10.1016/j.jbc.2021.101066   
2021 Caldararu O, Ekberg V, Logan DT, Oksanen E, Ryde U. Exploring ligand dynamics in protein crystal structures with ensemble refinement. Acta Crystallographica. Section D, Structural Biology. 77: 1099-1115. PMID 34342282 DOI: 10.1107/S2059798321006513   
2021 Kondra S, Chen F, Chen Y, Chen Y, Collette CJ, Xu W. A study of a hierarchical structure of proteins and ligand binding sites of receptors using the TSR-based structure comparison method and development of a size-filtering feature designed for comparing different sizes of protein structures. Proteins. PMID 34392570 DOI: 10.1002/prot.26215   
2021 Sauer DB, Wang B, Sudar JC, Song J, Marden J, Rice WJ, Wang DN. The ups and downs of elevator-type di-/tricarboxylate membrane transporters. The Febs Journal. PMID 34403567 DOI: 10.1111/febs.16158   
2021 Dash R, Mitra S, Munni YA, Choi HJ, Ali MC, Barua L, Jang TJ, Moon IS. Computational Insights into the Deleterious Impacts of Missense Variants on -Acetyl-d-glucosamine Kinase Structure and Function. International Journal of Molecular Sciences. 22. PMID 34360815 DOI: 10.3390/ijms22158048   
2021 Seong K, Krasileva K. Computational structural genomics unravels common folds and novel families in the secretome of fungal phytopathogen . Molecular Plant-Microbe Interactions : Mpmi. PMID 34415195 DOI: 10.1094/MPMI-03-21-0071-R   
2021 Jedhe GS, Arora PS. Hydrogen bond surrogate helices as minimal mimics of protein α-helices. Methods in Enzymology. 656: 1-25. PMID 34325784 DOI: 10.1016/bs.mie.2021.04.007   
2021 Aggarwal R, Gupta A, Chelur V, Jawahar CV, Priyakumar UD. DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks. Journal of Chemical Information and Modeling. PMID 34374539 DOI: 10.1021/acs.jcim.1c00799   
2021 Egbert M, Ghani U, Ashizawa R, Kotelnikov S, Nguyen T, Desta I, Hashemi N, Padhorny D, Kozakov D, Vajda S. Assessing the binding properties of CASP14 targets and models. Proteins. PMID 34368994 DOI: 10.1002/prot.26209   
2021 Park T, Woo H, Yang J, Kwon S, Won J, Seok C. Protein Oligomer Structure Prediction using GALAXY in CASP14. Proteins. PMID 34363243 DOI: 10.1002/prot.26203   
2021 Toyama Y, Harkness RW, Kay LE. Dissecting the role of interprotomer cooperativity in the activation of oligomeric high-temperature requirement A2 protein. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34446566 DOI: 10.1073/pnas.2111257118   
2021 Bie LH, Fei JW, Gao J. Molecular mechanism of methyl-dependent and spatial-specific DNA recognition of c-Jun homodimer. Journal of Molecular Modeling. 27: 227. PMID 34264385 DOI: 10.1007/s00894-021-04840-y   
2021 Zhao J, Liu M, Zang J, Yang S, Chen R, Zhao X, Ding L. Molecular docking, 3D-QASR and molecular dynamics simulations of thiazoles Pin1 inhibitors. Journal of Biomolecular Structure & Dynamics. 1-15. PMID 34499020 DOI: 10.1080/07391102.2021.1975568   
2021 Kumar A, Singh R, Ghosh B, Makde RD. Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly. Proteins. PMID 34431561 DOI: 10.1002/prot.26220   
2021 Santhouse JR, Rao SR, Horne WS. Analysis of folded structure and folding thermodynamics in heterogeneous-backbone proteomimetics. Methods in Enzymology. 656: 93-122. PMID 34325801 DOI: 10.1016/bs.mie.2021.04.009   
2021 Lento C, Wilson DJ. Subsecond Time-Resolved Mass Spectrometry in Dynamic Structural Biology. Chemical Reviews. PMID 34324314 DOI: 10.1021/acs.chemrev.1c00222   
2021 Xiao T, Sun L, Zhang M, Li Z, Haura EB, Schonbrunn E, Ji H. Synthesis and Structural Characterization of a Monocarboxylic Inhibitor for GRB2 SH2 Domain. Bioorganic & Medicinal Chemistry Letters. 128354. PMID 34506932 DOI: 10.1016/j.bmcl.2021.128354   
2021 Maben Z, Arya R, Georgiadis D, Stratikos E, Stern LJ. Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism. Nature Communications. 12: 5302. PMID 34489420 DOI: 10.1038/s41467-021-25564-w   
2021 Sobti M, Ueno H, Noji H, Stewart AG. The six steps of the complete F-ATPase rotary catalytic cycle. Nature Communications. 12: 4690. PMID 34344897 DOI: 10.1038/s41467-021-25029-0   
2021 Bai B, Zou R, Chan HCS, Li H, Yuan S. MolADI: A Web Server for Automatic Analysis of Protein-Small Molecule Dynamic Interactions. Molecules (Basel, Switzerland). 26. PMID 34361778 DOI: 10.3390/molecules26154625   
2021 Xue J, Han Y, Baniasadi H, Zeng W, Pei J, Grishin NV, Wang J, Tu BP, Jiang Y. TMEM120A is a coenzyme A-binding membrane protein with structural similarities to ELOVL fatty acid elongase. Elife. 10. PMID 34374645 DOI: 10.7554/eLife.71220   
2021 Markham KJ, Tikhonova EB, Scarpa AC, Hariharan P, Katsube S, Guan L. Complete cysteine-scanning mutagenesis of the Salmonella typhimurium melibiose permease. The Journal of Biological Chemistry. 101090. PMID 34416232 DOI: 10.1016/j.jbc.2021.101090   
2021 Nakamura T, Yokaichiya T, Fedorov DG. Quantum-Mechanical Structure Optimization of Protein Crystals and Analysis of Interactions in Periodic Systems. The Journal of Physical Chemistry Letters. 8757-8762. PMID 34478310 DOI: 10.1021/acs.jpclett.1c02510   
2021 Voith von Voithenberg L, Barth A, Trauschke V, Demarco B, Tyagi S, Koehler C, Lemke EA, Lamb DC. Comparative analysis of the coordinated motion of Hsp70s from different organelles observed by single-molecule three-color FRET. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34389669 DOI: 10.1073/pnas.2025578118   
2021 Werner N, Werten S, Hoppen J, Palm GJ, Göttfert M, Hinrichs W. The Induction Mechanism of the Flavonoid-Responsive Regulator FrrA. The Febs Journal. PMID 34314575 DOI: 10.1111/febs.16141   
2021 Gupta C, Khaniya U, Vant JW, Shekhar M, Mao J, Gunner MR, Singharoy A. Poor Person's pH Simulation of Membrane Proteins. Methods in Molecular Biology (Clifton, N.J.). 2315: 197-217. PMID 34302678 DOI: 10.1007/978-1-0716-1468-6_12   
2021 Gupta C, Khaniya U, Vant JW, Shekhar M, Mao J, Gunner MR, Singharoy A. Poor Person's pH Simulation of Membrane Proteins. Methods in Molecular Biology (Clifton, N.J.). 2315: 197-217. PMID 34302678 DOI: 10.1007/978-1-0716-1468-6_12   
2021 Li Q, Kang C. Structure and Dynamics of Zika Virus Protease and Its Insights into Inhibitor Design. Biomedicines. 9. PMID 34440248 DOI: 10.3390/biomedicines9081044   
2021 Quadir F, Roy RS, Soltanikazemi E, Cheng J. DeepComplex: A Web Server of Predicting Protein Complex Structures by Deep Learning Inter-chain Contact Prediction and Distance-Based Modelling. Frontiers in Molecular Biosciences. 8: 716973. PMID 34497831 DOI: 10.3389/fmolb.2021.716973   
2021 Feng N, Feng H, Wang S, Punekar AS, Ladenstein R, Wang DC, Zhang Q, Ding J, Liu W. Structures of heat shock factor trimers bound to DNA. Iscience. 24: 102951. PMID 34458700 DOI: 10.1016/j.isci.2021.102951   
2021 Wang W, Gao Y, Tang Y, Zhou X, Lai Y, Zhou S, Zhang Y, Yang X, Liu F, Guddat LW, Wang Q, Rao Z, Gong H. Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels. Nature Communications. 12: 4621. PMID 34330928 DOI: 10.1038/s41467-021-24924-w   
2021 Miao Z, Wang Q, Xiao X, Kamal GM, Song L, Zhang X, Li C, Zhou X, Jiang B, Liu M. CSI-LSTM: a web server to predict protein secondary structure using bidirectional long short term memory and NMR chemical shifts. Journal of Biomolecular Nmr. PMID 34510297 DOI: 10.1007/s10858-021-00383-9   
2021 Fellows AP, Casford MTL, Davies PB. Using hybrid atomic force microscopy and infrared spectroscopy (AFM-IR) to identify chemical components of the hair medulla on the nanoscale. Journal of Microscopy. PMID 34313326 DOI: 10.1111/jmi.13052   
2021 Mir S, Ashraf S, Saeed M, Rahman AU, Ul-Haq Z. Protonation states at different pH, conformational changes and impact of glycosylation in synapsin Ia. Physical Chemistry Chemical Physics : Pccp. PMID 34318818 DOI: 10.1039/d1cp00531f   
2021 Abdollahi K, Condict L, Hung A, Kasapis S. Binding parameters and molecular dynamics of β-lactoglobulin-vanillic acid complexation as a function of pH - part B: Neutral pH. Food Chemistry. 367: 130655. PMID 34371277 DOI: 10.1016/j.foodchem.2021.130655   
2021 Gupta A, Vijayan V, Pant P, Kaur P, Singh TP, Sharma P, Sharma S. Structure prediction and discovery of inhibitors against phosphopantothenoyl cysteine synthetase of . Journal of Biomolecular Structure & Dynamics. 1-13. PMID 34348086 DOI: 10.1080/07391102.2021.1958699   
2021 Singh M, Becker M, Godwin ARF, Baldock C. Structural studies of elastic fibre and microfibrillar proteins. Matrix Biology Plus. 12: 100078. PMID 34355160 DOI: 10.1016/j.mbplus.2021.100078   
2021 Wang JC, Chen L. Structural basis for the structural dynamics of human mitochondrial chaperonin mHsp60. Scientific Reports. 11: 14809. PMID 34285302 DOI: 10.1038/s41598-021-94236-y   
2021 Halder P, Mitra P. Human prion protein: exploring the thermodynamic stability and structural dynamics of its pathogenic mutants. Journal of Biomolecular Structure & Dynamics. 1-17. PMID 34338141 DOI: 10.1080/07391102.2021.1957715   
2021 Ayyamperumal S, Dj D, Tallapaneni V, Mohan S, S B, Selvaraj J, Joghee NM, Mjn C. Molecular docking analysis of α-Topoisomerase II with δ-Carboline derivatives as potential anticancer agents. Bioinformation. 17: 249-265. PMID 34393444 DOI: 10.6026/97320630017249   
2021 Tetreau G, Andreeva EA, Banneville AS, De Zitter E, Colletier JP. How Does Crystallize Such a Large Diversity of Toxins? Toxins. 13. PMID 34206796 DOI: 10.3390/toxins13070443   
2021 Li J, Hou C, Ma X, Guo S, Zhang H, Shi L, Liao C, Zheng B, Ye L, Yang L, He X. Entropy-Enthalpy Compensations Fold Proteins in Precise Ways. International Journal of Molecular Sciences. 22. PMID 34502559 DOI: 10.3390/ijms22179653   
2021 An X, Bai Q, Bing Z, Liu H, Yao X. Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations. Computational and Structural Biotechnology Journal. 19: 3978-3989. PMID 34377364 DOI: 10.1016/j.csbj.2021.07.008   
2021 Tosstorff A, Cole JC, Bartelt R, Kuhn B. Augmenting structure-based design with experimental protein-ligand interaction data: molecular recognition, interactive visualization and rescoring. Chemmedchem. PMID 34342128 DOI: 10.1002/cmdc.202100387   
2021 Peterson TA, Piper RC. Deconvolution of Multiple Rab Binding Domains Using the Batch Yeast 2-Hybrid Method DEEPN. Methods in Molecular Biology (Clifton, N.J.). 2293: 117-141. PMID 34453714 DOI: 10.1007/978-1-0716-1346-7_9   
2021 Ultsch M, Holliday MJ, Gerhardy S, Moran P, Scales SJ, Gupta N, Oltrabella F, Chiu C, Fairbrother W, Eigenbrot C, Kirchhofer D. Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Communications Biology. 4: 916. PMID 34316015 DOI: 10.1038/s42003-021-02387-5   
2021 Brotzakis ZF, Löhr T, Vendruscolo M. Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy. Chemical Science. 12: 9168-9175. PMID 34276947 DOI: 10.1039/d1sc00244a   
2021 Cucuzza S, Güntert P, Plückthun A, Zerbe O. An automated iterative approach for protein structure refinement using pseudocontact shifts. Journal of Biomolecular Nmr. PMID 34338940 DOI: 10.1007/s10858-021-00376-8