Jonathan P. Schuermann, Ph.D. - Related publications

2004 University of Missouri - Columbia, Columbia, MO, United States 
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50 most relevant papers in past 60 days:
Year Citation  Score
2020 Maryam A, Khalid RR, Vedithi SC, Ece A, Çınaroğlu SS, Siddiqi AR, Blundell TL. Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular dynamics simulations. Computational and Structural Biotechnology Journal. 18: 1625-1638. PMID 32670503 DOI: 10.1016/j.csbj.2020.06.016   
2020 Manne K, Chattopadhyay D, Agarwal V, Blom AM, Khare B, Chakravarthy S, Chang C, Ton-That H, Narayana SVL. Novel structure of the N-terminal helical domain of BibA, a group B streptococcus immunogenic bacterial adhesin. Acta Crystallographica. Section D, Structural Biology. 76: 759-770. PMID 32744258 DOI: 10.1107/S2059798320008116   
2020 Piepoli S, Alt AO, Atilgan C, Mancini EJ, Erman B. Structural analysis of the PATZ1 BTB domain homodimer. Acta Crystallographica. Section D, Structural Biology. 76: 581-593. PMID 32496219 DOI: 10.1107/S2059798320005355   
2020 Kaynak BT, Bahar I, Doruker P. Essential site scanning analysis: A new approach for detecting sites that modulate the dispersion of protein global motions. Computational and Structural Biotechnology Journal. 18: 1577-1586. PMID 32637054 DOI: 10.1016/j.csbj.2020.06.020   
2020 Chan-Yao-Chong M, Marsin S, Quevillon-Cheruel S, Durand D, Ha-Duong T. Structural ensemble and biological activity of DciA intrinsically disordered region. Journal of Structural Biology. 107573. PMID 32679070 DOI: 10.1016/j.jsb.2020.107573   
2020 Kumar R, Maksudov F, Kononova O, Marx KA, Barsegov V, Singh BR. Botulinum Endopeptidase: SAXS Experiments and MD Simulations Reveal Extended Solution Structures That Account for Its Biochemical Properties. The Journal of Physical Chemistry. B. PMID 32543194 DOI: 10.1021/acs.jpcb.0c02817   
2020 Nebl S, Alwan WS, Williams ML, Sharma G, Taylor A, Doak BC, Wilde KL, McMahon RM, Halili MA, Martin JL, Capuano B, Fenwick RB, Mohanty B, Scanlon MJ. NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide-dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei. Journal of Biomolecular Nmr. PMID 32761504 DOI: 10.1007/s10858-020-00339-5   
2020 Min K, Yoon HJ, Park JY, Baidya M, Dwivedi-Agnihotri H, Maharana J, Chaturvedi M, Chung KY, Shukla AK, Lee HH. Crystal Structure of β-Arrestin 2 in Complex with CXCR7 Phosphopeptide. Structure (London, England : 1993). PMID 32579945 DOI: 10.1016/j.str.2020.06.002   
2020 Campbell AC, Stiers KM, Martin Del Campo JS, Mehra-Chaudhary R, Sobrado P, Tanner JJ. Trapping conformational states of a flavin-dependent N-monooxygenase in crystallo reveals protein and flavin dynamics. The Journal of Biological Chemistry. PMID 32723870 DOI: 10.1074/jbc.RA120.014750   
2020 Baptista FR, Devereux SJ, Gurung SP, Hall JP, Sazanovich IV, Towrie M, Cardin CJ, Brazier JA, Kelly JM, Quinn SJ. The influence of loops on the binding of the [Ru(phen)dppz] light-switch compound to i-motif DNA structures revealed by time-resolved spectroscopy. Chemical Communications (Cambridge, England). PMID 32699864 DOI: 10.1039/d0cc03702h   
2020 Lara J, Diacovich L, Trajtenberg F, Larrieux N, Malchiodi EL, Fernández MM, Gago G, Gramajo H, Buschiazzo A. Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine. Nature Communications. 11: 3703. PMID 32710080 DOI: 10.1038/s41467-020-17504-x   
2020 Tahara S, Mizuno M, Mizutani Y. Nonbonded Atomic Contacts Drive Ultrafast Helix Motions in Myoglobin. The Journal of Physical Chemistry. B. PMID 32510952 DOI: 10.1021/acs.jpcb.0c04772   
2020 Abideen ZU, Ahmad A, Usman M, Majaz S, Ali W, Noreen S, Mahmood T, Nouroz F. Dynamics and conformational propensities of staphylococcal CntA. Journal of Biomolecular Structure & Dynamics. 1-13. PMID 32573341 DOI: 10.1080/07391102.2020.1782263   
2020 Le CA, Harvey DS, Aller SG. Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Iucrj. 7: 663-672. PMID 32695413 DOI: 10.1107/S2052252520005709   
2020 Zhu M, Ou D, Khan MH, Zhao S, Zhu Z, Niu L. Structural insights into the formation of oligomeric state by a type I Hsp40 chaperone. Biochimie. PMID 32621942 DOI: 10.1016/j.biochi.2020.06.009   
2020 Hosford CJ, Adams MC, Niu Y, Chappie JS. The N-terminal domain of Staphylothermus marinus McrB shares structural homology with PUA-like RNA binding proteins Journal of Structural Biology. PMID 32652237 DOI: 10.1016/j.jsb.2020.107572   
2020 Ha Y, Jang M, Lee S, Lee JY, Lee WC, Bae S, Kang J, Han M, Kim Y. Identification of inhibitor binding hotspots in Acinetobacter baumannii β-ketoacyl acyl carrier protein synthase III using molecular dynamics simulation. Journal of Molecular Graphics & Modelling. 100: 107669. PMID 32659632 DOI: 10.1016/j.jmgm.2020.107669   
2020 Na I, Choi S, Son SH, Uversky VN, Kim CG. Drug Discovery Targeting the Disorder-To-Order Transition Regions through the Conformational Diversity Mimicking and Statistical Analysis. International Journal of Molecular Sciences. 21. PMID 32722024 DOI: 10.3390/ijms21155248   
2020 Hao DL, Yang SY, Liu SX, Zhou JY, Huang YN, Véry AA, Sentenac H, Su YH. Functional Characterization of the Ammonium Transporter AtAMT1;3 With the Emphasis on Structural Determinants of Substrate Binding and Permeation Properties. Frontiers in Plant Science. 11: 571. PMID 32528489 DOI: 10.3389/fpls.2020.00571   
2020 Potter ZE, Lau HT, Chakraborty S, Fang L, Guttman M, Ong SE, Fowler DM, Maly DJ. Parallel Chemoselective Profiling for Mapping Protein Structure. Cell Chemical Biology. PMID 32649906 DOI: 10.1016/j.chembiol.2020.06.014   
2020 Visconti L, Toto A, Jarvis JA, Troilo F, Malagrinò F, De Simone A, Gianni S. Demonstration of Binding Induced Structural Plasticity in a SH2 Domain. Frontiers in Molecular Biosciences. 7: 89. PMID 32528972 DOI: 10.3389/fmolb.2020.00089   
2020 Lüthje S, Ramanathan K. In Silico Analysis of Class III Peroxidases: Hypothetical Structure, Ligand Binding Sites, Posttranslational Modifications, and Interaction with Substrates. Methods in Molecular Biology (Clifton, N.J.). 2139: 325-339. PMID 32462597 DOI: 10.1007/978-1-0716-0528-8_24   
2020 Maharjan R, Fukuda Y, Nakayama T, Nakayama T, Hamada H, Ozaki SI, Inoue T. Crown-ether-mediated crystal structures of the glycosyltransferase PaGT3 from Phytolacca americana. Acta Crystallographica. Section D, Structural Biology. 76: 521-530. PMID 32496214 DOI: 10.1107/S2059798320005306   
2020 Yang F, Mao C, Guo L, Lin J, Ming Q, Xiao P, Wu X, Shen Q, Guo S, Shen DD, Lu R, Zhang L, Huang S, Ping Y, Zhang C, et al. Structural basis of GPBAR activation and bile acid recognition. Nature. PMID 32698187 DOI: 10.1038/s41586-020-2569-1   
2020 Dutoit R, Brandt N, Van Gompel T, Van Elder D, Van Dyck J, Sobott F, Droogmans L. M42 aminopeptidase catalytic site: the structural and functional role of a strictly conserved aspartate residue. Proteins. PMID 32673419 DOI: 10.1002/prot.25982   
2020 Tamirat MZ, Kurppa KJ, Elenius K, Johnson MS. Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation. Journal of Visualized Experiments : Jove. PMID 32510498 DOI: 10.3791/61125   
2020 Kabashima Y, Ogawa H, Nakajima R, Toyoshima C. What ATP binding does to the Ca pump and how nonproductive phosphoryl transfer is prevented in the absence of Ca. Proceedings of the National Academy of Sciences of the United States of America. PMID 32675243 DOI: 10.1073/pnas.2006027117   
2020 Hoffmann D, Diderrich R, Reithofer V, Friederichs S, Kock M, Essen LO, Mösch HU. Functional reprogramming of epithelial adhesins: the role of conserved and variable structural motifs in ligand binding. The Journal of Biological Chemistry. PMID 32669365 DOI: 10.1074/jbc.RA120.013968   
2020 Nutho B, Pengthaisong S, Tankrathok A, Lee VS, Ketudat Cairns JR, Rungrotmongkol T, Hannongbua S. Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7. Biomolecules. 10. PMID 32549280 DOI: 10.3390/biom10060907   
2020 Thakur A, Sharma K, Jaiswal K, Goyal A. Structure and dynamics analysis of a family 43 glycoside hydrolase α-L-arabinofuranosidase (PsGH43_12) from Pseudopedobacter saltans by computational modeling and small-angle X-ray scattering. International Journal of Biological Macromolecules. 163: 582-592. PMID 32640320 DOI: 10.1016/j.ijbiomac.2020.07.007   
2020 Butt BG, Scourfield EJ, Graham SC. Non-native fold of the putative VPS39 zinc finger domain. Wellcome Open Research. 5: 154. PMID 32724865 DOI: 10.12688/wellcomeopenres.16078.1   
2020 Tomiczek B, Delewski W, Nierzwicki L, Stolarska M, Grochowina I, Schilke B, Dutkiewicz R, Uzarska MA, Ciesielski SJ, Czub J, Craig EA, Marszalek J. Two-step mechanism of J-domain action in driving Hsp70 function. Plos Computational Biology. 16: e1007913. PMID 32479549 DOI: 10.1371/journal.pcbi.1007913   
2020 Lee BG, Merkel F, Allegretti M, Hassler M, Cawood C, Lecomte L, O'Reilly FJ, Sinn LR, Gutierrez-Escribano P, Kschonsak M, Bravo S, Nakane T, Rappsilber J, Aragon L, Beck M, et al. Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism. Nature Structural & Molecular Biology. PMID 32661420 DOI: 10.1038/s41594-020-0457-x   
2020 Chang TH, Hsieh FL, Smallwood PM, Gabelli SB, Nathans J. Structure of the RECK CC domain, an evolutionary anomaly. Proceedings of the National Academy of Sciences of the United States of America. PMID 32541044 DOI: 10.1073/pnas.2006332117   
2020 Grande-Aztatzi R, Formoso E, Mujika JI, de Sancho D, Lopez X. Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation. Journal of Inorganic Biochemistry. 210: 111169. PMID 32679460 DOI: 10.1016/j.jinorgbio.2020.111169   
2020 Vignesh R, Aradhyam GK. Change in domain cooperativity drives function of calnuc. Biochemistry. PMID 32543177 DOI: 10.1021/acs.biochem.0c00207   
2020 Hurlburt NK, Wan YH, Stuart AB, Feng J, McGuire AT, Stamatatos L, Pancera M. Structural basis for potent neutralization of SARS-CoV-2 and role of antibody affinity maturation. Biorxiv : the Preprint Server For Biology. PMID 32577631 DOI: 10.1101/2020.06.12.148692   
2020 Tikhonov DB, Lin L, Yang DSC, Yuchi Z, Zhorov BS. Phenylalkylamines in calcium channels: computational analysis of experimental structures. Journal of Computer-Aided Molecular Design. PMID 32648151 DOI: 10.1007/s10822-020-00330-0   
2020 Cao Y, Park SJ, Im W. A Systematic Analysis of Protein-Carbohydrate Interactions in the PDB. Glycobiology. PMID 32614943 DOI: 10.1093/glycob/cwaa062   
2020 Ahmad F, Shabaz Z, Azam SS. Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein. Journal of Molecular Modeling. 26: 221. PMID 32748070 DOI: 10.1007/s00894-020-04475-5   
2020 Staffler R, Pasternack R, Hils M, Kaiser W, Möller FM. Nucleotide binding kinetics and conformational change analysis of tissue transglutaminase with switchSENSE. Analytical Biochemistry. 605: 113719. PMID 32697952 DOI: 10.1016/j.ab.2020.113719   
2020 Dai Y, Li Y, Wang L, Peng Z, Yang J. On monomeric and multimeric structures-based protein-ligand interactions. Ieee/Acm Transactions On Computational Biology and Bioinformatics. PMID 32750865 DOI: 10.1109/TCBB.2020.3002776   
2020 Ye Q, West AMV, Silletti S, Corbett KD. Architecture and self-assembly of the SARS-CoV-2 nucleocapsid protein. Protein Science : a Publication of the Protein Society. PMID 32654247 DOI: 10.1002/pro.3909   
2020 Xue J, Xie T, Zeng W, Jiang Y, Bai XC. Cryo-EM structures of human ZnT8 in both outward- and inward-facing conformations. Elife. 9. PMID 32723473 DOI: 10.7554/eLife.58823   
2020 Prajapat M, Sarma P, Shekhar N, Prakash A, Avti P, Bhattacharyya A, Kaur H, Kumar S, Bansal S, Sharma AR, Medhi B. Update on the target structures of SARS-CoV-2: A systematic review. Indian Journal of Pharmacology. 52: 142-149. PMID 32565603 DOI: 10.4103/ijp.IJP_338_20   
2020 Medina E, Villalobos P, Hamilton GL, Komives EA, Sanabria H, Ramírez-Sarmiento CA, Babul J. Intrinsically disordered regions of the DNA-binding domain of human FoxP1 facilitate domain swapping. Journal of Molecular Biology. PMID 32735805 DOI: 10.1016/j.jmb.2020.07.017   
2020 Sacco MD, Ma C, Lagarias P, Gao A, Townsend JA, Meng X, Dube P, Zhang X, Hu Y, Kitamura N, Hurst B, Tarbet B, Marty MT, Kolocouris A, Xiang Y, et al. Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against M and cathepsin L. Biorxiv : the Preprint Server For Biology. PMID 32766590 DOI: 10.1101/2020.07.27.223727   
2020 Ruben EA, Planer W, Chinnaraj M, Chen Z, Zuo X, Pengo V, De Filippis V, Alluri RK, McCrae KR, Macor P, Tedesco F, Pozzi N. The J-elongated conformation of β-glycoprotein I predominates in solution: Implications for our understanding of antiphospholipid syndrome. The Journal of Biological Chemistry. PMID 32518155 DOI: 10.1074/jbc.RA120.013939   
2020 Marasco M, Carlomagno T. Specificity and regulation of phosphotyrosine signaling through SH2 domains. Journal of Structural Biology: X. 4: 100026. PMID 32647828 DOI: 10.1016/j.yjsbx.2020.100026   
2020 Marangoni JM, Wu SC, Fogen D, Wong SL, Ng KKS. Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity. Scientific Reports. 10: 12483. PMID 32719366 DOI: 10.1038/s41598-020-69357-5