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== | |||
==Trypsin inhibitor complex (BPO)== | |||
<StructureSection load='1eb2' size='340' side='right' caption='[[1eb2]], [[Resolution|resolution]] 2.00Å' scene=''> | <StructureSection load='1eb2' size='340' side='right' caption='[[1eb2]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1aq7|1aq7]], [[1auj|1auj]], [[1az8|1az8]], [[1bju|1bju]], [[1bjv|1bjv]], [[1btp|1btp]], [[1btw|1btw]], [[1btx|1btx]], [[1bty|1bty]], [[1btz|1btz]], [[1c1n|1c1n]], [[1c1o|1c1o]], [[1c1p|1c1p]], [[1c1q|1c1q]], [[1c1r|1c1r]], [[1c1s|1c1s]], [[1c1t|1c1t]], [[1c2d|1c2d]], [[1c2e|1c2e]], [[1c2f|1c2f]], [[1c2g|1c2g]], [[1c2h|1c2h]], [[1c2i|1c2i]], [[1c2j|1c2j]], [[1c2k|1c2k]], [[1c2l|1c2l]], [[1c2m|1c2m]], [[1c5p|1c5p]], [[1c5q|1c5q]], [[1c5r|1c5r]], [[1c5s|1c5s]], [[1c5t|1c5t]], [[1c5u|1c5u]], [[1c5v|1c5v]], [[1c9t|1c9t]], [[1ce5|1ce5]], [[1cu7|1cu7]], [[1cu8|1cu8]], [[1cu9|1cu9]], [[1d6r|1d6r]], [[1ejm|1ejm]], [[1ezx|1ezx]], [[1f0t|1f0t]], [[1f0u|1f0u]], [[1f2s|1f2s]], [[1g3b|1g3b]], [[1g3c|1g3c]], [[1g3d|1g3d]], [[1g3e|1g3e]], [[1g9i|1g9i]], [[1gbt|1gbt]], [[1hj9|1hj9]], [[1jrs|1jrs]], [[1jrt|1jrt]], [[1max|1max]], [[1may|1may]], [[1mts|1mts]], [[1mtu|1mtu]], [[1mtv|1mtv]], [[1mtw|1mtw]], [[1ntp|1ntp]], [[1ppc|1ppc]], [[1ppe|1ppe]], [[1pph|1pph]], [[1qa0|1qa0]], [[1qb1|1qb1]], [[1qb6|1qb6]], [[1qb9|1qb9]], [[1qbn|1qbn]], [[1qbo|1qbo]], [[1qcp|1qcp]], [[1ql7|1ql7]], [[1ql8|1ql8]], [[1sbw|1sbw]], [[1sfi|1sfi]], [[1smf|1smf]], [[1tab|1tab]], [[1taw|1taw]], [[1tgb|1tgb]], [[1tgc|1tgc]], [[1tgn|1tgn]], [[1tgs|1tgs]], [[1tgt|1tgt]], [[1tio|1tio]], [[1tld|1tld]], [[1tng|1tng]], [[1tnh|1tnh]], [[1tni|1tni]], [[1tnj|1tnj]], [[1tnk|1tnk]], [[1tnl|1tnl]], [[1tpa|1tpa]], [[1tpo|1tpo]], [[1tpp|1tpp]], [[1tps|1tps]], [[1tyn|1tyn]], [[1xuf|1xuf]], [[1xug|1xug]], [[1xuh|1xuh]], [[1xui|1xui]], [[1xuj|1xuj]], [[1xuk|1xuk]], [[1yyy|1yyy]], [[1zzz|1zzz]], [[2btc|2btc]], [[2bza|2bza]], [[2ptc|2ptc]], [[2ptn|2ptn]], [[2tga|2tga]], [[2tgd|2tgd]], [[2tgp|2tgp]], [[2tgt|2tgt]], [[2tio|2tio]], [[2tld|2tld]], [[2tpi|2tpi]], [[3btd|3btd]], [[3bte|3bte]], [[3btf|3btf]], [[3btg|3btg]], [[3bth|3bth]], [[3btk|3btk]], [[3btm|3btm]], [[3btq|3btq]], [[3btt|3btt]], [[3btw|3btw]], [[3ptb|3ptb]], [[3ptn|3ptn]], [[3tgj|3tgj]], [[3tpi|3tpi]], [[4tpi|4tpi]], [[5ptp|5ptp]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1aq7|1aq7]], [[1auj|1auj]], [[1az8|1az8]], [[1bju|1bju]], [[1bjv|1bjv]], [[1btp|1btp]], [[1btw|1btw]], [[1btx|1btx]], [[1bty|1bty]], [[1btz|1btz]], [[1c1n|1c1n]], [[1c1o|1c1o]], [[1c1p|1c1p]], [[1c1q|1c1q]], [[1c1r|1c1r]], [[1c1s|1c1s]], [[1c1t|1c1t]], [[1c2d|1c2d]], [[1c2e|1c2e]], [[1c2f|1c2f]], [[1c2g|1c2g]], [[1c2h|1c2h]], [[1c2i|1c2i]], [[1c2j|1c2j]], [[1c2k|1c2k]], [[1c2l|1c2l]], [[1c2m|1c2m]], [[1c5p|1c5p]], [[1c5q|1c5q]], [[1c5r|1c5r]], [[1c5s|1c5s]], [[1c5t|1c5t]], [[1c5u|1c5u]], [[1c5v|1c5v]], [[1c9t|1c9t]], [[1ce5|1ce5]], [[1cu7|1cu7]], [[1cu8|1cu8]], [[1cu9|1cu9]], [[1d6r|1d6r]], [[1ejm|1ejm]], [[1ezx|1ezx]], [[1f0t|1f0t]], [[1f0u|1f0u]], [[1f2s|1f2s]], [[1g3b|1g3b]], [[1g3c|1g3c]], [[1g3d|1g3d]], [[1g3e|1g3e]], [[1g9i|1g9i]], [[1gbt|1gbt]], [[1hj9|1hj9]], [[1jrs|1jrs]], [[1jrt|1jrt]], [[1max|1max]], [[1may|1may]], [[1mts|1mts]], [[1mtu|1mtu]], [[1mtv|1mtv]], [[1mtw|1mtw]], [[1ntp|1ntp]], [[1ppc|1ppc]], [[1ppe|1ppe]], [[1pph|1pph]], [[1qa0|1qa0]], [[1qb1|1qb1]], [[1qb6|1qb6]], [[1qb9|1qb9]], [[1qbn|1qbn]], [[1qbo|1qbo]], [[1qcp|1qcp]], [[1ql7|1ql7]], [[1ql8|1ql8]], [[1sbw|1sbw]], [[1sfi|1sfi]], [[1smf|1smf]], [[1tab|1tab]], [[1taw|1taw]], [[1tgb|1tgb]], [[1tgc|1tgc]], [[1tgn|1tgn]], [[1tgs|1tgs]], [[1tgt|1tgt]], [[1tio|1tio]], [[1tld|1tld]], [[1tng|1tng]], [[1tnh|1tnh]], [[1tni|1tni]], [[1tnj|1tnj]], [[1tnk|1tnk]], [[1tnl|1tnl]], [[1tpa|1tpa]], [[1tpo|1tpo]], [[1tpp|1tpp]], [[1tps|1tps]], [[1tyn|1tyn]], [[1xuf|1xuf]], [[1xug|1xug]], [[1xuh|1xuh]], [[1xui|1xui]], [[1xuj|1xuj]], [[1xuk|1xuk]], [[1yyy|1yyy]], [[1zzz|1zzz]], [[2btc|2btc]], [[2bza|2bza]], [[2ptc|2ptc]], [[2ptn|2ptn]], [[2tga|2tga]], [[2tgd|2tgd]], [[2tgp|2tgp]], [[2tgt|2tgt]], [[2tio|2tio]], [[2tld|2tld]], [[2tpi|2tpi]], [[3btd|3btd]], [[3bte|3bte]], [[3btf|3btf]], [[3btg|3btg]], [[3bth|3bth]], [[3btk|3btk]], [[3btm|3btm]], [[3btq|3btq]], [[3btt|3btt]], [[3btw|3btw]], [[3ptb|3ptb]], [[3ptn|3ptn]], [[3tgj|3tgj]], [[3tpi|3tpi]], [[4tpi|4tpi]], [[5ptp|5ptp]]</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></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=1eb2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eb2 OCA], [http://pdbe.org/1eb2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1eb2 RCSB], [http://www.ebi.ac.uk/pdbsum/1eb2 PDBsum]</span></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=1eb2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eb2 OCA], [http://pdbe.org/1eb2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1eb2 RCSB], [http://www.ebi.ac.uk/pdbsum/1eb2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1eb2 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
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<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
</jmolCheckbox> | </jmolCheckbox> | ||
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/ | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1eb2 ConSurf]. | ||
<div style="clear:both"></div> | <div style="clear:both"></div> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
Revision as of 07:02, 6 September 2017
Trypsin inhibitor complex (BPO)Trypsin inhibitor complex (BPO)
Structural highlightsEvolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedIn silico screening of combinatorial libraries prior to synthesis promises to be a valuable aid to lead discovery. PRO_SELECT, a tool for the virtual screening of libraries for fit to a protein active site, has been used to find novel leads against the serine protease factor Xa. A small seed template was built upon using three iterations of library design, virtual screening, synthesis, and biological testing. Highly potent molecules with selectivity for factor Xa over other serine proteases were rapidly obtained. PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors.,Liebeschuetz JW, Jones SD, Morgan PJ, Murray CW, Rimmer AD, Roscoe JM, Waszkowycz B, Welsh PM, Wylie WA, Young SC, Martin H, Mahler J, Brady L, Wilkinson K J Med Chem. 2002 Mar 14;45(6):1221-32. PMID:11881991[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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