{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T00:07:41Z","timestamp":1790899661465,"version":"4.1.0"},"reference-count":41,"publisher":"National Academy of Sciences","issue":"23","content-domain":{"domain":["www.pnas.org"],"crossmark-restriction":true},"short-container-title":["Proc. Natl. Acad. Sci. U.S.A."],"published-print":{"date-parts":[[1999,11,9]]},"abstract":"<jats:p>\n                    Protein\u2013protein interacting surfaces are usually large and\n intricate, making the rational design of small mimetics of these\n interfaces a daunting problem. On the basis of a structural similarity\n between the CDR2-like loop of CD4 and the \u03b2-hairpin region of a short\n scorpion toxin, scyllatoxin, we transferred the side chains of nine\n residues of CD4, central in the binding to HIV-1 envelope\n glycoprotein (gp120), to a structurally homologous region of the\n scorpion toxin scaffold. In competition experiments, the resulting\n 27-amino acid miniprotein inhibited binding of CD4 to gp120 with a 40\n \u03bcM IC\n                    <jats:sub>50<\/jats:sub>\n                    . Structural analysis by NMR showed that both the\n backbone of the chimeric \u03b2-hairpin and the introduced side chains\n adopted conformations similar to those of the parent CD4. Systematic\n single mutations suggested that most CD4 residues from the CDR2-like\n loop were reproduced in the miniprotein, including the critical Phe-43.\n The structural and functional analysis performed suggested five\n additional mutations that, once incorporated in the miniprotein,\n increased its affinity for gp120 by 100-fold to an IC\n                    <jats:sub>50<\/jats:sub>\n                    of\n 0.1\u20131.0 \u03bcM, depending on viral strains. The resulting mini-CD4\n inhibited infection of CD4\n                    <jats:sup>+<\/jats:sup>\n                    cells by different virus\n isolates. Thus, core regions of large protein\u2013protein interfaces can\n be reproduced in miniprotein scaffolds, offering possibilities for the\n development of inhibitors of protein\u2013protein interactions that may\n represent useful tools in biology and in drug discovery.\n                  <\/jats:p>","DOI":"10.1073\/pnas.96.23.13091","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T10:41:48Z","timestamp":1027680108000},"page":"13091-13096","update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":132,"title":["Rational engineering of a miniprotein that reproduces the core of the CD4 site interacting with HIV-1 envelope glycoprotein"],"prefix":"10.1073","volume":"96","author":[{"given":"Claudio","family":"Vita","sequence":"first","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eugenia","family":"Drakopoulou","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean","family":"Vizzavona","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sandrine","family":"Rochette","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lo\u00efc","family":"Martin","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andr\u00e9","family":"M\u00e9nez","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christian","family":"Roumestand","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yin-Shan","family":"Yang","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Loyda","family":"Ylisastigui","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdelaziz","family":"Benjouad","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean Claude","family":"Gluckman","sequence":"additional","affiliation":[{"name":"D\u00e9partement d\u2019Ing\u00e9nierie et d\u2019Etudes des\r Prot\u00e9ines, Commissariat \u00e0 l\u2019Energie Atomique, Saclay,\r 91190 Gif-sur-Yvette, France; Centre de Biologie\r Structurale, Centre National de la Recherche Scientifique Unit\u00e9\r Mixte de Recherche, 9955-Institut National de la Sant\u00e9 et de la\r Recherche M\u00e9dicale U414, Facult\u00e9 de Pharmacie, 34060\r Montpellier, France; Laboratoire d\u2019Immunologie\r Cellulaire et Immunopathologie de l\u2019Ecole Pratique des Hautes Etudes\r and Enseignement Superieur Associ\u00e9e 7087 Universit\u00e9..."}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"341","published-online":{"date-parts":[[1999,11,9]]},"reference":[{"key":"e_1_3_4_1_2","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1038\/312763a0","volume":"312","author":"Dalgleish A G","year":"1984","unstructured":"A G Dalgleish, A C Beverley, P R Clapham, D H Crawford, M F Greaves, R A Weiss Nature (London) 312, 763\u2013767 (1984).","journal-title":"Nature (London)"},{"key":"e_1_3_4_2_2","doi-asserted-by":"crossref","first-page":"767","DOI":"10.1038\/312767a0","volume":"312","author":"Klatzmann D","year":"1984","unstructured":"D Klatzmann, E Champagne, S Chamaret, J Gruest, D Guetard, T Hercend, J C Gluckman, L Montagnier Nature (London) 312, 767\u2013768 (1984).","journal-title":"Nature (London)"},{"key":"e_1_3_4_3_2","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1038\/384179a0","volume":"384","author":"Wu L","year":"1996","unstructured":"L Wu, N P Gerard, R Wyatt, H Choe, C Parolin, A Ruffing, A Borsetti, A A Cardoso, E Desjardin, W Newman, et al. 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