Research graph
References from An in silico investigation on the binding site preference of PD-1 and PD-L1 for designing antibodies for targeted cancer therapy. Local targets link to admitted publications; unresolved targets remain external evidence.
Interaction of tumor cells with the immune system: implications for dendritic cell therapy and cancer progression
10.1016/j.drudis.2012.07.010 · 2013 · External reference
Current progress and future perspectives of immune checkpoint in cancer and infectious diseases
10.3389/fgene.2021.785153 · 2021 · External reference
Structure of the complex of human programmed death 1, PD-1, and its ligand PD-L1
10.1016/j.str.2015.09.010 · 2015 · External reference
PD-1 alters T-cell metabolic reprogramming by inhibiting glycolysis and promoting lipolysis and fatty acid oxidation
10.1038/ncomms7692 · 2015 · External reference
Mechanisms controlling PD-L1 expression in cancer
10.1016/j.molcel.2019.09.030 · 2019 · External reference
Mechanisms of resistance to immune checkpoint inhibitors
10.1038/bjc.2017.434 · 2018 · External reference
Crystal structure of PD-1 in complex with an antibody-drug tislelizumab used in tumor immune checkpoint therapy
10.1016/j.bbrc.2020.04.121 · 2020 · External reference
The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors
10.1073/pnas.0712278105 · 2008 · External reference
A dimeric structure of PD-L1: functional units or evolutionary relics?
10.1007/s13238-010-0022-1 · 2010 · External reference
10.1007/7355_2017_27
10.1007/7355_2017_27 · External reference
Recent advances in the development of protein–protein interactions modulators: mechanisms and clinical trials
10.1038/s41392-020-00315-3 · 2020 · External reference
The advent of de novo proteins for cancer immunotherapy
10.1016/j.cbpa.2020.02.002 · 2020 · External reference
Inhibitors of protein–protein interactions (PPIs): an analysis of scaffold choices and buried surface area
10.1016/j.cbpa.2018.06.004 · 2018 · External reference
Structural insights and binding analysis for determining the molecular bases for programmed cell death protein ligand-1 inhibition
10.1039/c9md00326f · 2019 · External reference
In silico mapping of the dynamic interactions and structure-activity relationship of flavonoid compounds against the immune checkpoint programmed-cell death 1 pathway
10.3389/fddsv.2022.1032587 · 2022 · External reference
Biopharmaceutical benchmarks 2022
10.1038/s41587-022-01582-x · 2022 · External reference
Unresolved reference
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10.1016/b978-0-323-47674-4.00030-x
10.1016/b978-0-323-47674-4.00030-x · 2020 · External reference
Diversity of immune checkpoints in cancer immunotherapy
10.3389/fimmu.2023.1121285 · 2023 · External reference
New principles of cancer therapy give new hope for oncological patients
2019 · External reference
High-resolution crystal structure of the therapeutic antibody pembrolizumab bound to the human PD-1
10.1038/srep35297 · 2016 · External reference
Elucidating the druggable interface of protein− protein interactions using fragment docking and coevolutionary analysis
2016 · External reference
Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces
10.1371/journal.pcbi.1007207 · 2019 · External reference
Improving antibody affinity through in vitro mutagenesis in complementarity determining regions
10.7555/jbr.36.20220003 · 2022 · External reference
Experimentally guided computational antibody affinity maturation with de novo docking, modelling and rational design
10.1371/journal.pcbi.1006980 · 2019 · External reference
Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
10.1038/ncomms13354 · 2016 · External reference
An unexpected N-terminal loop in PD-1 dominates binding by nivolumab
10.1038/ncomms14369 · 2017 · External reference
Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy
2019 · External reference
Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation
10.1038/s42003-019-0642-9 · 2019 · External reference
Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor
10.1038/s41598-019-54231-w · 2019 · External reference
Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 AntibodyPreclinical Properties of Sasanlimab
10.1158/1535-7163.mct-20-0093 · 2020 · External reference
Tislelizumab uniquely binds to the CC′ loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage
10.1002/2211-5463.13102 · 2021 · External reference
Structural basis of anti-PD-L1 monoclonal antibody avelumab for tumor therapy
10.1038/cr.2016.102 · 2017 · External reference
Distinct PD-L1 binding characteristics of therapeutic monoclonal antibody durvalumab
10.1007/s13238-017-0412-8 · 2018 · External reference
Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab
10.18632/oncotarget.21652 · 2017 · External reference
Unresolved reference
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COCOMAPS: a web application to analyze and visualize contacts at the interface of biomolecular complexes
10.1093/bioinformatics/btr484 · 2011 · External reference
High-resolution comparative modeling with RosettaCM
10.1016/j.str.2013.08.005 · 2013 · External reference
Modeling immunity with rosetta: Methods for antibody and antigen design
10.1021/acs.biochem.0c00912 · 2021 · External reference
RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite
10.1371/journal.pone.0020161 · 2011 · External reference
The Rosetta all-atom energy function for macromolecular modeling and design
10.1021/acs.jctc.7b00125 · 2017 · External reference
Macromolecular modeling with rosetta
10.1146/annurev.biochem.77.062906.171838 · 2008 · External reference
Multiple sequence alignment with hierarchical clustering
10.1093/nar/16.22.10881 · 1988 · External reference
Unresolved reference
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ff19SB: Amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution
10.1021/acs.jctc.9b00591 · 2019 · External reference
ff14SB: improving the accuracy of protein side chain and backbone parameters from ff99SB
10.1021/acs.jctc.5b00255 · 2015 · External reference
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
10.1016/0021-9991(77)90098-5 · 1977 · External reference
A smooth particle mesh Ewald method
10.1063/1.470117 · 1995 · External reference
Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl-N′-methylamide
10.1002/bip.360320508 · 1992 · External reference
PTRAJ and CPPTRAJ: software for processing and analysis of molecular dynamics trajectory data
10.1021/ct400341p · 2013 · External reference
Unresolved reference
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ggplot2
10.1002/wics.147 · 2011 · External reference
10.1021/ci200227u
10.1021/ci200227u · External reference
NAPS: network analysis of protein structures
10.1093/nar/gkw383 · 2016 · External reference
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models
10.1021/ar000033j · 2000 · External reference
MMPBSA. py: an efficient program for end-state free energy calculations
10.1021/ct300418h · 2012 · External reference
Predictive biomarkers of immunotherapy for non-small cell lung cancer: results from an Experts Panel Meeting of the Italian Association of Thoracic Oncology
10.21037/tlcr.2017.05.09 · 2017 · External reference
Structural basis for blocking PD-1-mediated immune suppression by therapeutic antibody pembrolizumab
10.1038/cr.2016.77 · 2017 · External reference
Structural biology of the immune checkpoint receptor PD-1 and its ligands PD-L1/PD-L2
10.1016/j.str.2017.06.011 · 2017 · External reference
Tislelizumab: a modified anti-tumor programmed death receptor 1 antibody
10.1177/10732748221111296 · 2022 · External reference
Severe thyrotoxicosis induced by tislelizumab: a case report and literature review
2023 · External reference
The CC′ loop of IgV domains of the immune checkpoint receptors, plays a key role in receptor: ligand affinity modulation
10.1038/s41598-019-54623-y · 2019 · External reference
Interplay among structural stability, plasticity, and energetics determined by conformational attuning of flexible loops in PD-1
10.1021/acs.jcim.0c01080 · 2021 · External reference
Computational design of a synthetic PD-1 agonist
10.1073/pnas.2102164118 · 2021 · External reference
Programmed cell death 1 forms negative costimulatory microclusters that directly inhibit T cell receptor signaling by recruiting phosphatase SHP2
10.1084/jem.20112741 · 2012 · External reference
The PD-1/PD-Ls pathway and autoimmune diseases
10.1016/j.cellimm.2014.05.006 · 2014 · External reference
In vitro evolution of antibody affinity via insertional scanning mutagenesis of an entire antibody variable region
10.1073/pnas.2002954117 · 2020 · External reference
Latest technologies for the enhancement of antibody affinity
10.1016/j.addr.2006.01.025 · 2006 · External reference
In vitro affinity maturation of human GM-CSF antibodies by targeted CDR-diversification
10.1016/j.molimm.2008.07.013 · 2008 · External reference
Computational design of antibody-affinity improvement beyond in vivo maturation
10.1038/nbt1336 · 2007 · External reference
A general method for greatly improving the affinity of antibodies by using combinatorial libraries
10.1073/pnas.0503543102 · 2005 · External reference
Affinity maturation increases the stability and plasticity of the Fv domain of anti-protein antibodies
10.1016/j.jmb.2007.09.005 · 2007 · External reference
Epistasis in a fitness landscape defined by antibody-antigen binding free energy
10.1016/j.cels.2018.12.004 · 2019 · External reference
Epistasis and intramolecular networks in protein evolution
10.1016/j.sbi.2021.04.007 · 2021 · External reference
Long-range epistasis mediated by structural change in a model of ligand binding proteins
10.1371/journal.pone.0166739 · 2016 · External reference
Unresolved reference
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The FG loop of PD-1 serves as a “Hotspot” for therapeutic monoclonal antibodies in tumor immune checkpoint therapy
10.1016/j.isci.2019.03.017 · 2019 · External reference
Molecular dynamics of the immune checkpoint programmed cell death protein I, PD-1: conformational changes of the BC-loop upon binding of the ligand PD-L1 and the monoclonal antibody nivolumab
10.1186/s12859-020-03904-9 · 2020 · External reference
The High-Resolution Structure Reveals Remarkable Similarity in PD-1 Binding of Cemiplimab and Dostarlimab, the FDA-Approved Antibodies for Cancer Immunotherapy
10.3390/biomedicines10123154 · 2022 · External reference
