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-Structure paper
Title | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. |
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Journal, issue, pages | J. Med. Chem., Vol. 64, Page 417-429, Year 2021 |
Publish date | Jun 1, 2020 (structure data deposition date) |
![]() | Dietrich, J.D. / Longenecker, K.L. / Wilson, N.S. / Goess, C. / Panchal, S.C. / Swann, S.L. / Petros, A.M. / Hobson, A.D. / Ihle, D. / Song, D. ...Dietrich, J.D. / Longenecker, K.L. / Wilson, N.S. / Goess, C. / Panchal, S.C. / Swann, S.L. / Petros, A.M. / Hobson, A.D. / Ihle, D. / Song, D. / Richardson, P. / Comess, K.M. / Cox, P.B. / Dombrowski, A. / Sarris, K. / Donnelly-Roberts, D.L. / Duignan, D.B. / Gomtsyan, A. / Jung, P. / Krueger, A.C. / Mathieu, S. / McClure, A. / Stoll, V.S. / Wetter, J. / Mankovich, J.A. / Hajduk, P.J. / Vasudevan, A. / Stoffel, R.H. / Sun, C. |
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Methods | X-ray diffraction |
Resolution | 2.75 - 2.93 Å |
Structure data | ![]() PDB-6x81: ![]() PDB-6x82: ![]() PDB-6x83: ![]() PDB-6x85: ![]() PDB-6x86: |
Chemicals | ![]() ChemComp-UTJ: ![]() ChemComp-HOH: ![]() ChemComp-UTM: ![]() ChemComp-UTS: ![]() ChemComp-UTV: ![]() ChemComp-UTY: |
Source |
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![]() | CYTOKINE / Trimer / inhibitor complex |