2e2r A 1.6 BS01 2OH A 1 L268 E275 M306 L309 Y326 N346 I349 F435 V458 L37 E44 M75 L78 Y95 N115 I118 F204 V227 ? Kd=5.5nM -logKd/Ki=8.26, Kd=5.5nM IC50=13.1nM P62508 17761695 1401 KPYNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIPGFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMHIEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMHKLFLEMLEAKV 2p7g A 2.1 BS01 2OH A 1 E275 M306 L309 Y326 N346 I349 F435 E41 M72 L75 Y92 N112 I115 F201 ? Kd=0.297uM -logKd/Ki=6.53, Kd=0.297uM IC50=13.1nM P62508 17964775 1 NKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIPGFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMHIEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMHKLFLEMLEA 3uu7 A 2.196 BS02 2OH A 1 L346 A350 E353 M421 I424 L525 L41 A45 E48 M116 I119 L215 ? IC50=>10000nM, EC50=>10000nM P03372 22927406 1 LALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL 3uu7 B 2.196 BS02 2OH B 1 L346 E353 F404 M421 H524 L43 E50 F101 M118 H211 ? IC50=>10000nM, EC50=>10000nM P03372 22927406 1 NSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR 5it1 A 2.1 BS02 2OH A 1 P82 A180 A181 G186 G232 T233 I236 P78 A176 A177 G182 G228 T229 I232 R174 A237 D240 T241 T242 G284 C348 I349 G350 E357 F389 R170 A233 D236 T237 T238 G280 C344 I345 G346 E353 F385 1.14.14.1 0004497,0005506,0016705,0016712,0020037,0046872 Q70AS3 27231902 402 TAGAPAAPKARSCPFLPPDGIADIRAAAPVTRATFTSGHEAWLVTGYEQVRAVLRDPSFSVGVPHALHTQDGVVTQKPGRGSLLWQDAPEHTDDRKLLAKEFTVRRMQALRPNIQRIVDEHLDAIEARGGPVDLVKTFANPVPSMVISDLFGVPAERRAEFQEIAEAMMRVDQDAAATEAAGMRLGGLLYQLVQERRANPGDDLISALITTEDPDGVIDDMFLMNAAGTLLIAAHDTTACMIGLGTALLLDRPDQLALLQKDPSLIGNAVEELLRYLTIGQFGAERVATQDGEIGGVRIAKGEQVVTHLLSADFDPAFVEDPERFDITRRPAPHLAFGFGAHQCIGQQLARIELQIVFGTLFRRFPTLRLAKPVEELRFRNDMVFYGVHELPVTW 5it1 B 2.1 BS02 2OH B 1 P82 A181 G186 G232 T233 P78 A177 G182 G228 T229 R174 A237 D240 T241 T242 G284 C348 I349 G350 E357 F389 R170 A233 D236 T237 T238 G280 C344 I345 G346 E353 F385 1.14.14.1 0004497,0005506,0016705,0016712,0020037,0046872 Q70AS3 27231902 402 TAGAPAAPKARSCPFLPPDGIADIRAAAPVTRATFTSGHEAWLVTGYEQVRAVLRDPSFSVGVPHALHTQDGVVTQKPGRGSLLWQDAPEHTDDRKLLAKEFTVRRMQALRPNIQRIVDEHLDAIEARGGPVDLVKTFANPVPSMVISDLFGVPAERRAEFQEIAEAMMRVDQDAAATEAAGMRLGGLLYQLVQERRANPGDDLISALITTEDPDGVIDDMFLMNAAGTLLIAAHDTTACMIGLGTALLLDRPDQLALLQKDPSLIGNAVEELLRYLTIGQFGAERVATQDGEIGGVRIAKGEQVVTHLLSADFDPAFVEDPERFDITRRPAPHLAFGFGAHQCIGQQLARIELQIVFGTLFRRFPTLRLAKPVEELRFRNDMVFYGVHELPVTW 5it1 C 2.1 BS02 2OH C 1 P82 A181 G186 G232 T233 P78 A177 G182 G228 T229 R174 A237 D240 T241 T242 G284 C348 I349 G350 E357 F389 R170 A233 D236 T237 T238 G280 C344 I345 G346 E353 F385 1.14.14.1 0004497,0005506,0016705,0016712,0020037,0046872 Q70AS3 27231902 402 TAGAPAAPKARSCPFLPPDGIADIRAAAPVTRATFTSGHEAWLVTGYEQVRAVLRDPSFSVGVPHALHTQDGVVTQKPGRGSLLWQDAPEHTDDRKLLAKEFTVRRMQALRPNIQRIVDEHLDAIEARGGPVDLVKTFANPVPSMVISDLFGVPAERRAEFQEIAEAMMRVDQDAAATEAAGMRLGGLLYQLVQERRANPGDDLISALITTEDPDGVIDDMFLMNAAGTLLIAAHDTTACMIGLGTALLLDRPDQLALLQKDPSLIGNAVEELLRYLTIGQFGAERVATQDGEIGGVRIAKGEQVVTHLLSADFDPAFVEDPERFDITRRPAPHLAFGFGAHQCIGQQLARIELQIVFGTLFRRFPTLRLAKPVEELRFRNDMVFYGVHELPVTW 5it1 D 2.1 BS02 2OH D 1 P82 A180 A181 G186 N229 G232 T233 P78 A176 A177 G182 N225 G228 T229 R174 A237 D240 T241 T242 G284 C348 I349 G350 E357 F389 R170 A233 D236 T237 T238 G280 C344 I345 G346 E353 F385 1.14.14.1 0004497,0005506,0016705,0016712,0020037,0046872 Q70AS3 27231902 402 TAGAPAAPKARSCPFLPPDGIADIRAAAPVTRATFTSGHEAWLVTGYEQVRAVLRDPSFSVGVPHALHTQDGVVTQKPGRGSLLWQDAPEHTDDRKLLAKEFTVRRMQALRPNIQRIVDEHLDAIEARGGPVDLVKTFANPVPSMVISDLFGVPAERRAEFQEIAEAMMRVDQDAAATEAAGMRLGGLLYQLVQERRANPGDDLISALITTEDPDGVIDDMFLMNAAGTLLIAAHDTTACMIGLGTALLLDRPDQLALLQKDPSLIGNAVEELLRYLTIGQFGAERVATQDGEIGGVRIAKGEQVVTHLLSADFDPAFVEDPERFDITRRPAPHLAFGFGAHQCIGQQLARIELQIVFGTLFRRFPTLRLAKPVEELRFRNDMVFYGVHELPVTW 6i63 A 2.229 BS01 2OH A 1 L268 E275 M306 L309 Y326 L345 N346 I349 F435 L35 E42 M73 L76 Y93 L112 N113 I116 F202 ? Kd=98nM IC50=13.1nM P62508 31127318 501 YNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIPGFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMHIEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMHKLFLEMLEAKV 6lit A 2.0 BS02 2OH A 1 L243 A247 M281 I288 Y301 L320 F410 L9 A13 M47 I54 Y67 L86 F176 ? O95718 32795533 501 GDIKALTTLCDLADRELVVIIGWAKHIPGFSSLSLGDQMSLLQSAWMEILILGIVYRSLPYDDKLVYAEDYIMDEEHSRLAGLLELYRAILQLVRRYKKLKVEKEEFVTLKALALANSDSMHIEDLEAVQKLQDLLHEALQDYELSQHHEEPWRTGKLLLTLPLLRQTAAKAVQHFYSVKLQGKVPMHKLFLEMLEAK 6lit B 2.0 BS02 2OH B 1 A247 M281 I288 Y301 L320 F410 A13 M47 I54 Y67 L86 F176 ? O95718 32795533 501 GDIKALTTLCDLADRELVVIIGWAKHIPGFSSLSLGDQMSLLQSAWMEILILGIVYRSLPYDDKLVYAEDYIMDEEHSRLAGLLELYRAILQLVRRYKKLKVEKEEFVTLKALALANSDSMHIEDLEAVQKLQDLLHEALQDYELSQHHEEPWRTGKLLLTLPLLRQTAAKAVQHFYSVKLQGKVPMHKLFLEMLEA 9f7w A 1.25 BS02 2OH A 1 I262 K263 R280 G284 C285 I58 K59 R76 G80 C81 P37231 38927044 501 GPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKD 9f7w A 1.25 BS03 2OH A 2 F287 S464 L465 H466 F83 S260 L261 H262 P37231 38927044 502 GPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKD