1oq5 A 1.5 BS02 CEL A 1 N67 Q92 H94 H96 H119 F131 L198 T199 T200 P202 N64 Q89 H91 H93 H116 F127 L194 T195 T196 P198 H64 H94 H96 E106 H119 T199 H61 H91 H93 E103 H116 T195 4.2.1.1,4.2.1.69 0002009,0004064,0004089,0005515,0005737,0005829,0005886,0006730,0008270,0015670,0016829,0018820,0032230,0032849,0038166,0043209,0044070,0045177,0046872,0046903,0051453,0070050,0070062,2001150,2001225 ic50=21nM -logKd/Ki=7.68, IC50=21nM Ki=21nM, IC50=21nM P00918 14736236 701 HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASF 3kk6 A 2.75 BS02 CEL A 1 Q192 V349 L352 S353 Y355 L359 W387 S516 I517 F518 I523 G526 A527 Q161 V318 L321 S322 Y324 L328 W356 S485 I486 F487 I492 G495 A496 Q203 H207 L384 Y385 H388 G526 S530 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0004601,0004666,0005737,0005783,0005789,0006979,0008217,0016020,0016702,0019371,0020037,0042803,0043005,0043231,0046872,0051213,0098869 IC50=15000nM P05979 19955429 701 PVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPD 3kk6 B 2.75 BS02 CEL B 1 H90 Q192 V349 L352 S353 Y355 L359 W387 S516 I517 F518 I523 G526 A527 H59 Q161 V318 L321 S322 Y324 L328 W356 S485 I486 F487 I492 G495 A496 Q203 H207 L384 Y385 H388 G526 S530 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0004601,0004666,0005737,0005783,0005789,0006979,0008217,0016020,0016702,0019371,0020037,0042803,0043005,0043231,0046872,0051213,0098869 IC50=15000nM P05979 19955429 1701 PVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPD 3ln1 A 2.4 BS02 CEL A 1 H75 V335 L338 S339 Y341 L345 W373 F504 V509 G512 A513 L517 H58 V318 L321 S322 Y324 L328 W356 F487 V492 G495 A496 L500 Q189 H193 L370 Y371 H374 G512 S516 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030216,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=60nM Q05769 20709553 682 ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ 3ln1 B 2.4 BS02 CEL B 1 H75 V335 L338 S339 Y341 W373 F504 V509 G512 A513 H58 V318 L321 S322 Y324 W356 F487 V492 G495 A496 Q189 H193 L370 Y371 H374 G512 S516 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030216,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=60nM Q05769 20709553 682 ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ 3ln1 C 2.4 BS02 CEL C 1 V335 L338 S339 Y341 W373 F504 V509 G512 A513 L517 V318 L321 S322 Y324 W356 F487 V492 G495 A496 L500 Q189 H193 L370 Y371 H374 G512 S516 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030216,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=60nM Q05769 20709553 682 ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ 3ln1 D 2.4 BS02 CEL D 1 H75 V335 L338 S339 Y341 L345 W373 F504 V509 G512 A513 L517 H58 V318 L321 S322 Y324 L328 W356 F487 V492 G495 A496 L500 Q189 H193 L370 Y371 H374 G512 S516 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030216,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=60nM Q05769 20709553 682 ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ 4fim A 1.8 BS04 CEL A 1 E431 G432 P655 E659 Y660 L661 G662 Y665 E90 G91 P314 E318 Y319 L320 G321 Y324 3.4.21.- 0005576 P24627 711 YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCS 5jw1 A 2.822 BS02 CEL A 1 Q193 V350 L353 S354 Y356 W388 A517 F519 V524 G527 A528 L532 Q161 V318 L321 S322 Y324 W356 A485 F487 V492 G495 A496 L500 Q204 H208 L385 Y386 H389 G527 S531 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030216,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=60nM Q05769 27756840 602 HHPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRPYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ 5jw1 B 2.822 BS02 CEL B 1 H90 V350 L353 S354 Y356 W388 F519 V524 G527 A528 L532 H58 V318 L321 S322 Y324 W356 F487 V492 G495 A496 L500 Q204 H208 L385 Y386 H389 G527 S531 Q172 H176 L353 Y354 H357 G495 S499 1.14.99.1 0001516,0001525,0004601,0004666,0005515,0005634,0005637,0005640,0005737,0005783,0005789,0005901,0006979,0007566,0007612,0007613,0008217,0008284,0008285,0009410,0009624,0009750,0010042,0010269,0010575,0016020,0016702,0019371,0019899,0020037,0030216,0030282,0031394,0031622,0031915,0032227,0032310,0032355,0032496,0032991,0033138,0033280,0034097,0034605,0034612,0035633,0042127,0042307,0042633,0042803,0043005,0043065,0043066,0043154,0045429,0045786,0045907,0045986,0045987,0046697,0046872,0048661,0050873,0051213,0051384,0051926,0051968,0070542,0071222,0071260,0071284,0071318,0071456,0071471,0071498,0071636,0090050,0090271,0090336,0090362,0098869,0150077,1902219,1905375,1990776 IC50=60nM Q05769 27756840 602 HHPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRPYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNV 7zej A 1.79 BS02 CEL A 1 S68 N71 Y77 F262 Y266 F295 S47 N50 Y56 F241 Y245 F274 1.3.1.48 0003674,0003824,0005739,0005777,0006629,0008150,0008270,0016491,0045599,0047522 Q8N4Q0 402 SMMQKLVVTRLSPNFREAVTLSRDCPVPLPGDGDLLVRNRFVGVNASDINYSAGRYDPSVKPPFDIGFEGIGEVVALGLSASARYTVGQAVAYMAPGSFAEYTVVPASIATPVPSVKPEYLTLLVSGTTAYISLKELGGLSEGKKVLVTAAAGGTGQFAMQLSKKAKCHVIGTCSSDEKSAFLKSLGCDRPINYKTEPVGTVLKQEYPEGVDVVYESVGGAMFDLAVDALATKGRLIVIGFISGYQTPTGLSPVKAGTLPAKLLKKSASVQGFFLNHYLSKYQAAMSHLLEMCVSGDLVCEVDLGDLSPEGRFTGLESIFRAVNYMYMGKNTGKIVVELPH 7zej B 1.79 BS02 CEL B 1 S68 N71 R76 Y77 S47 N50 R55 Y56 1.3.1.48 0003674,0003824,0005739,0005777,0006629,0008150,0008270,0016491,0045599,0047522 Q8N4Q0 402 SMMQKLVVTRLSPNFREAVTLSRDCPVPLPGDGDLLVRNRFVGVNASDINYSAGRYDPSVKPPFDIGFEGIGEVVALGLSASARYTVGQAVAYMAPGSFAEYTVVPASIATPVPSVKPEYLTLLVSGTTAYISLKELGGLSEGKKVLVTAAAGGTGQFAMQLSKKAKCHVIGTCSSDEKSAFLKSLGCDRPINYKTEPVGTVLKQEYPEGVDVVYESVGGAMFDLAVDALATKGRLIVIGFISGYQTPTGLSPVKAGTLPAKLLKKSASVQGFFLNHYLSKYQAAMSHLLEMCVSGDLVCEVDLGDLSPEGRFTGLESIFRAVNYMYMGKNTGKIVVELP