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Author Details

Chenghua Shao
The State University of New Jersey
1986
51
25
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36420884RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning.Nucleic Acids Res2023
37613801Assessing and Maximizing the Quality of 3DEM Structure Data at the Worldwide Protein Data Bank.Microsc Microanal2023
34676613RCSB Protein Data Bank: Celebrating 50â¿¿years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D.Protein Sci2022
35460671PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology.J Mol Biol2022
36291635Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students.Biomolecules2022
35026162Simplified quality assessment for small-molecule ligands in the Protein Data Bank.Structure2022
33211854RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences.Nucleic Acids Res2021
33978738Modernized uniform representation of carbohydrate molecules in the Protein Data Bank.Glycobiology2021
31531901RCSB Protein Data Bank: Enabling biomedical research and drug discovery.Protein Sci2020
30357411RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy.Nucleic Acids Res2019
31257108Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking.Structure2019
30632055D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.J Comput Aided Mol Des2019
29204945D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.J Comput Aided Mol Des2018
30325351Analysis of impact metrics for the Protein Data Bank.Sci Data2018
30532050Outlier analyses of the Protein Data Bank archive using a probability-density-ranking approach.Sci Data2018
29688351Worldwide Protein Data Bank biocuration supporting open access to high-quality 3D structural biology data.Database (Oxford)2018
27794042The RCSB protein data bank: integrative view of protein, gene and 3D structural information.Nucleic Acids Res2017
28190782OneDep: Unified wwPDB System for Deposition, Biocuration, and Validation of Macromolecular Structures in the PDB Archive.Structure2017
28216043Multivariate Analyses of Quality Metrics for Crystal Structures in the PDB Archive.Structure2017
29174494Validation of Structures in the Protein Data Bank.Structure2017
27050687Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.Structure2016
25540181The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.Bioinformatics2015
24173824Improving the representation of peptide-like inhibitor and antibiotic molecules in the Protein Data Bank.Biopolymers2014
25425036Small molecule annotation for the Protein Data Bank.Database (Oxford)2014
23337870Trendspotting in the Protein Data Bank.FEBS Lett2013
24291661Chemical annotation of small and peptide-like molecules at the Protein Data Bank.Database (Oxford)2013
23665955Biosynthesis and PBAN-regulated transport of pheromone polyenes in the winter moth, Operophtera brumata.J Chem Ecol2013
21416158Identification of components of the female sex pheromone of the Simao pine caterpillar moth, Dendrolimus kikuchii Matsumura.J Chem Ecol2011
21651981Terminal fatty-acyl-CoA desaturase involved in sex pheromone biosynthesis in the winter moth (Operophtera brumata).Insect Biochem Mol Biol2011
20403437Elucidation of the sex-pheromone biosynthesis producing 5,7-dodecadienes in Dendrolimus punctatus (Lepidoptera: Lasiocampidae) reveals Delta 11- and Delta 9-desaturases with unusual catalytic properties.Insect Biochem Mol Biol2010
20691782Neofunctionalization in an ancestral insect desaturase lineage led to rare ο6 pheromone signals in the Chinese tussah silkworm.Insect Biochem Mol Biol2010
20393784Biosynthesis of unusual moth pheromone components involves two different pathways in the navel orangeworm, Amyelois transitella.J Chem Ecol2010
19369255Modulation of Bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.J Biol Chem2009
18160406Crystal structure of lactadherin C2 domain at 1.7A resolution with mutational and computational analyses of its membrane-binding motif.J Biol Chem2008
18293041Potential chemosignals in the anogenital gland secretion of giant pandas, Ailuropoda melanoleuca, associated with sex and individual identity.J Chem Ecol2008
18313701Cohabitation impaired physiology, fitness and sex-related chemosignals in golden hamsters.Physiol Behav2008
18405915Genetic basis of sex pheromone blend difference between Helicoverpa armigera (Hübner) and Helicoverpa assulta (Guenée) (Lepidoptera: Noctuidae).J Insect Physiol2008
17213187Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C.J Biol Chem2007
17541690Female sex pheromone of the Yunnan pine caterpillar moth Dendrolimus houi: first (E,Z)-isomers in pheromone components of Dendrolimus spp.J Chem Ecol2007
17251176Putative chemical signals about sex, individuality, and genetic background in the preputial gland and urine of the house mouse (Mus musculus).Chem Senses2007
16882661Crystallographic analysis of calcium-dependent heparin binding to annexin A2.J Biol Chem2006
15839478Sex pheromone components of the sandthorn carpenterworm, Holcocerus hippophaecolus.J Chem Ecol2005
16250445[Study on trace component in sex pheromones of Dendrolimus spp].Se Pu2005
15857763Comparative study of sex pheromone composition and biosynthesis in Helicoverpa armigera, H. assulta and their hybrid.Insect Biochem Mol Biol2005
14871622Sex pheromone biosynthesis in the pine caterpillar moth, Dendrolimus punctatus (Lepidoptera: Lasiocampidae): pathways leading to Z5-monoene and 5,7-conjugated diene components.Insect Biochem Mol Biol2004
15712861[Determination of double bond position in conjugated dienes in sex pheromones of Dendrolimus spp].Se Pu2004
11857674Stimulation of sex pheromone production by PBAN-like substance in the pine caterpillar moth, Dendrolimus punctatus (Lepidoptera: Lasiocampidae).Arch Insect Biochem Physiol2002
12098768Sequence-specific assignments of proton NMR resonance peaks and analysis of secondary structural elements of LC1, a novel antibacterial polypeptide.Sheng Wu Hua Xue Yu Sheng Wu Wu Li Xue Bao (Shanghai)2002
18726437Three-dimensional structure of the inner core of rice dwarf virus.Sci China C Life Sci2001
24233679Substrate specificity of acetyltransferase and reductase enzyme systems used in pheromone biosynthesis by Asian corn borer,Ostrinia furnacalis.J Chem Ecol1995
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Collaborators

The State University of New Jersey
Co-authored papers 21
The State University of New Jersey
Co-authored papers 21
The State University of New Jersey
Co-authored papers 18
The State University of New Jersey
Co-authored papers 16
The State University of New Jersey
Co-authored papers 16
The State University of New Jersey
Co-authored papers 13
The State University of New Jersey
Co-authored papers 11
The State University of New Jersey
Co-authored papers 11
The State University of New Jersey
Co-authored papers 10
The State University of New Jersey
Co-authored papers 10
The State University of New Jersey
Co-authored papers 9
University of Naples Federico II
Co-authored papers 9
The State University of New Jersey
Co-authored papers 8
Institute for Quantitative Biomedicine, State University of New Jersey
Co-authored papers 8
University of California San Diego
Co-authored papers 8
The State University of New Jersey
Co-authored papers 8
The State University of New Jersey
Co-authored papers 8
The State University of New Jersey
Co-authored papers 8
The State University of New Jersey
Co-authored papers 7
The State University of New Jersey
Co-authored papers 7
European Bioinformatics Institute
Co-authored papers 7
The State University of New Jersey
Co-authored papers 7
The State University of New Jersey
Co-authored papers 6
The State University of New Jersey
Co-authored papers 6
University of California San Diego
Co-authored papers 5
European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 5
University of California San Diego
Co-authored papers 5
University of California San Francisco
Co-authored papers 4
The State University of New Jersey
Co-authored papers 4
The State University of New Jersey
Co-authored papers 4