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Author Details

Desigan Kumaran
Brookhaven National Laboratory
1999
42
20
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36977673Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.Nat Commun2023
36071812The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M<sup>pro</sup>).IUCrJ2022
35842458Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.Sci Rep2022
33972941The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M<sup>pro</sup>).bioRxiv2021
26818694β-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Francisella tularensis and Yersinia pestis: Structure Determination, Enzymatic Characterization, and Cross-Inhibition Studies.Biochemistry2016
26522088Interactions of a potent cyclic peptide inhibitor with the light chain of botulinum neurotoxin A: Insights from X-ray crystallography.Bioorg Med Chem2015
24832101Structural characterization and function determination of a nonspecific carboxylate esterase from the amidohydrolase superfamily with a promiscuous ability to hydrolyze methylphosphonate esters.Biochemistry2014
23214420Functional annotation and three-dimensional structure of an incorrectly annotated dihydroorotase from cog3964 in the amidohydrolase superfamily.Biochemistry2013
22459921Heterologous expression and purification of Arabidopsis thaliana VIM1 protein: in vitro evidence for its inability to recognize hydroxymethylcytosine, a rare base in Arabidopsis DNA.Protein Expr Purif2012
23192024Structure of a periplasmic glucose-binding protein from Thermotoga maritima.Acta Crystallogr Sect F Struct Biol Cryst Commun2012
22525749Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.Acta Crystallogr D Biol Crystallogr2012
21247091Catalytic mechanism and three-dimensional structure of adenine deaminase.Biochemistry2011
21998098The catalase activity of diiron adenine deaminase.Protein Sci2011
21387413Structural basis for a ribofuranosyl binding protein: insights into the furanose specific transport.Proteins2011
19118561Domain organization in Clostridium botulinum neurotoxin type E is unique: its implication in faster translocation.J Mol Biol2009
19358546Functional annotation of two new carboxypeptidases from the amidohydrolase superfamily of enzymes.Biochemistry2009
18434312Structure- and substrate-based inhibitor design for Clostridium botulinum neurotoxin serotype A.J Biol Chem2008
18818739Substrate binding mode and its implication on drug design for botulinum neurotoxin A.PLoS Pathog2008
18498110Crystal structure of a putative lysostaphin peptidase from Vibrio cholerae.Proteins2008
18707125Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase.Biochemistry2008
18323598A novel acetate-bound complex of human carbonic anhydrase II.Acta Crystallogr Sect F Struct Biol Cryst Commun2008
17463003The crystal structure of the ivy Delta4-16:0-ACP desaturase reveals structural details of the oxidized active site and potential determinants of regioselectivity.J Biol Chem2007
18058037Structural genomics of protein phosphatases.J Struct Funct Genomics2007
17640072X-ray structure of imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution.Proteins2007
16475182Crystal structure of a putative HTH-type transcriptional regulator yxaF from Bacillus subtilis.Proteins2006
16838328Crystal structure of phosphatidylglycerophosphatase (PGPase), a putative membrane-bound lipid phosphatase, reveals a novel binuclear metal binding site and two "proton wires".Proteins2006
16815921Crystal structure of trehalose-6-phosphate phosphatase-related protein: biochemical and biological implications.Protein Sci2006
15722447Structure and mechanism of ADP-ribose-1''-monophosphatase (Appr-1''-pase), a ubiquitous cellular processing enzyme.Protein Sci2005
15904688Structural analysis of the catalytic domain of tetanus neurotoxin.Toxicon2005
16104015Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin.Proteins2005
15027050Structure and enzymatic activity of botulinum neurotoxins.Mov Disord2004
14766304Cloning, high level expression, purification, and crystallization of the full length Clostridium botulinum neurotoxin type E light chain.Protein Expr Purif2004
14979717Role of metals in the biological activity of Clostridium botulinum neurotoxins.Biochemistry2004
15157097Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212--&gt;Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway.Biochemistry2004
12833551Crystal structure of a putative CN hydrolase from yeast.Proteins2003
12640443A HEX-1 crystal lattice required for Woronin body function in Neurospora crassa.Nat Struct Biol2003
12146945A novel mechanism for Clostridium botulinum neurotoxin inhibition.Biochemistry2002
11173486Crystallization and preliminary X-ray analysis of Borrelia burgdorferi outer surface protein C (OspC).Acta Crystallogr D Biol Crystallogr2001
11230121Crystal structure of outer surface protein C (OspC) from the Lyme disease spirochete, Borrelia burgdorferi.EMBO J2001
11526318Structure of staphylococcal enterotoxin C2 at various pH levels.Acta Crystallogr D Biol Crystallogr2001
11679763Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B.Acta Crystallogr D Biol Crystallogr2001
10927419Molecular structures and conformations of three 3-azabicyclononanes.Acta Crystallogr B1999
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Collaborators

Brookhaven National Laboratory
Co-authored papers 35
Brookhaven National Laboratory
Co-authored papers 14
The State University of New Jersey
Co-authored papers 11
Texas A&M University, College Station
Co-authored papers 5
Eli Lilly and Co.
Co-authored papers 4
Brookhaven National Laboratory
Co-authored papers 4
Albert Einstein College of Medicine
Co-authored papers 4
Defence Institute of Physiology and Allied Sciences (DIPAS)
Co-authored papers 3
National Forensic Sciences University
Co-authored papers 3
Manipal University Jaipur
Co-authored papers 3
Brookhaven National Laboratory
Co-authored papers 3
Armed Forces Radiobiology Research Institute
Co-authored papers 2
Texas A&M University, College Station
Co-authored papers 2
Co-authored papers 2
Indian Institute of Science Education and Research Pune
Co-authored papers 2
University of California San Francisco
Co-authored papers 2
Albert Einstein College of Medicine
Co-authored papers 1
Faculdade de Farmacia, Universidade Federal do Rio de Janeiro
Co-authored papers 1
College of Biotechnology and Bioengineering, Zhejiang University of Technology
Co-authored papers 1
Albert Einstein College of Medicine
Co-authored papers 1
Institute of Hematology, West China Hospital of Sichuan University
Co-authored papers 1
The University of Texas MD Anderson Cancer Center
Co-authored papers 1
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 1
Center for Structural Biology of Infectious Diseases, University of Chicago
Co-authored papers 1
Case Center for Proteomics, Case Western Reserve University
Co-authored papers 1
University of Mysore
Co-authored papers 1
University of Pittsburgh
Co-authored papers 1
Brookhaven National Laboratory
Co-authored papers 1
New York SGX Research Center for Structural Genomics
Co-authored papers 1
University of North Carolina
Co-authored papers 1