6nm8

From Proteopedia

(Difference between revisions)

Current revision

IgV-V76T BMS compound 105

Structural highlights

6nm8 is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.792Å
Ligands:
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

PD1L1_HUMAN Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.^[1] ^[2]

Publication Abstract from PubMed

The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained.

Fragment-based screening of programmed death ligand 1 (PD-L1).,Perry E, Mills JJ, Zhao B, Wang F, Sun Q, Christov PP, Tarr JC, Rietz TA, Olejniczak ET, Lee T, Fesik S Bioorg Med Chem Lett. 2019 Mar 15;29(6):786-790. doi: 10.1016/j.bmcl.2019.01.028., Epub 2019 Jan 24. PMID:30728114^[3]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Dong H, Zhu G, Tamada K, Chen L. B7-H1, a third member of the B7 family, co-stimulates T-cell proliferation and interleukin-10 secretion. Nat Med. 1999 Dec;5(12):1365-9. PMID:10581077 doi:10.1038/70932
↑ Freeman GJ, Long AJ, Iwai Y, Bourque K, Chernova T, Nishimura H, Fitz LJ, Malenkovich N, Okazaki T, Byrne MC, Horton HF, Fouser L, Carter L, Ling V, Bowman MR, Carreno BM, Collins M, Wood CR, Honjo T. Engagement of the PD-1 immunoinhibitory receptor by a novel B7 family member leads to negative regulation of lymphocyte activation. J Exp Med. 2000 Oct 2;192(7):1027-34. PMID:11015443
↑ Perry E, Mills JJ, Zhao B, Wang F, Sun Q, Christov PP, Tarr JC, Rietz TA, Olejniczak ET, Lee T, Fesik S. Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg Med Chem Lett. 2019 Mar 15;29(6):786-790. doi: 10.1016/j.bmcl.2019.01.028., Epub 2019 Jan 24. PMID:30728114 doi:http://dx.doi.org/10.1016/j.bmcl.2019.01.028

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/6nm8"

Categories: Homo sapiens | Large Structures | Fesik S | Perry E | Zhao B

@@ Line 1: / Line 1: @@
 ==IgV-V76T BMS compound 105==
-<StructureSection load='6nm8' size='340' side='right' caption='[[6nm8]], [[Resolution|resolution]] 2.79&Aring;' scene=''>
+<StructureSection load='6nm8' size='340' side='right'caption='[[6nm8]], [[Resolution|resolution]] 2.79&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6nm8]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6NM8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6NM8 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6nm8]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6NM8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6NM8 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KSD:N-({2,6-dimethoxy-4-[(2-methyl[1,1-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine'>KSD</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.792&#8491;</td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6nm8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6nm8 OCA], [http://pdbe.org/6nm8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6nm8 RCSB], [http://www.ebi.ac.uk/pdbsum/6nm8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6nm8 ProSAT]</span></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=KSD:(2~{R})-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]propanoic+acid'>KSD</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6nm8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6nm8 OCA], [https://pdbe.org/6nm8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6nm8 RCSB], [https://www.ebi.ac.uk/pdbsum/6nm8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6nm8 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/PD1L1_HUMAN PD1L1_HUMAN]] Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.<ref>PMID:10581077</ref> <ref>PMID:11015443</ref>
+[https://www.uniprot.org/uniprot/PD1L1_HUMAN PD1L1_HUMAN] Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.<ref>PMID:10581077</ref> <ref>PMID:11015443</ref>
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 22: / Line 23: @@
 __TOC__
 </StructureSection>
-[[Category: Fesik, S]]
+[[Category: Homo sapiens]]
-[[Category: Perry, E]]
+[[Category: Large Structures]]
-[[Category: Zhao, B]]
+[[Category: Fesik S]]
-[[Category: Cancer drug discovery]]
+[[Category: Perry E]]
-[[Category: Fragment-based screening]]
+[[Category: Zhao B]]
-[[Category: Immune system]]
-[[Category: Immune system-inhibitor complex]]
-[[Category: Immunotherapy]]
-[[Category: Pd-l1 inhibitor]]
-[[Category: Structure-based design]]

6nm8

From Proteopedia

Current revision

IgV-V76T BMS compound 105

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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