2025-12-13_00000121
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ligand
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9MD7
Hip1 complex with inhibitor #1 (Hip1-1) via Ser228;
X-ray diffraction 2.72Å
Protein #1
486 residues (95% resolved)
Raw Sequence ...
GPLGSPEFEPKLGQPVEWTPCRSSNPQVKIPGGALCGKLAVPVDYDRPDGDVAALALIRFPATGDKIGSLVINPGGPGESGIEAALGVFQTLPKRVHERFDLVGFDPRGVASSRPAIWCNSDADNDRLRAEPQVDYSREGVAHIENETKQFVGRCVDKMGKNFLAHVGTVNVAKDLDAIRAALGDDKLTYLGYSYGTRIGSAYAEEFPQRVRAMILDGAVDPNADPIEAELRQAKGFQDAFNNYAADCAKNAGCPLGADPAKAVEVYHSLVDPLVDPDNPRISRPARTKDPRGLSYSDAIVGTIMALYSPNLWQHLTDGLSELVDNRGDTLLALADMYMRRDSHGRYNNSGDARVAINCVDQPPVTDRDKVIDEDRRAREIAPFMSYGKFTGDAPLGTCAFWPVPPTSQPHAVSAPGLVPTVVVSTTHDPATPYKAGVDLANQLRGSLLTFDGTQHTVVFQGDSCIDEYVTAYLIGGTTPPSGAKC
Canonical Sequence ...
GPLGSPEFEPKLGQPVEWTPCRSSNPQVKIPGGALCGKLAVPVDYDRPDGDVAALALIRFPATGDKIGSLVINPGGPGESGIEAALGVFQTLPKRVHERFDLVGFDPRGVASSRPAIWCNSDADNDRLRAEPQVDYSREGVAHIENETKQFVGRCVDKMGKNFLAHVGTVNVAKDLDAIRAALGDDKLTYLGYSYGTRIGSAYAEEFPQRVRAMILDGAVDPNADPIEAELRQAKGFQDAFNNYAADCAKNAGCPLGADPAKAVEVYHSLVDPLVDPDNPRISRPARTKDPRGLSYSDAIVGTIMALYSPNLWQHLTDGLSELVDNRGDTLLALADMYMRRDSHGRYNNSGDARVAINCVDQPPVTDRDKVIDEDRRAREIAPFMSYGKFTGDAPLGTCAFWPVPPTSQPHAVSAPGLVPTVVVSTTHDPATPYKAGVDLANQLRGSLLTFDGTQHTVVFQGDSCIDEYVTAYLIGGTTPPSGAKC
Non polymer #2
A1BK4
InChI=1S/C24H40N4O7/c1-15(2)13-18(20(29)23(32)35-3)27-21(30)17(11-7-8-12-25)26-22(31)19(28-24(33)34)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-20,24,28-29,33-34H,7-8,11-14,25H2,1-3H3,(H,26,31)(H,27,30)/t17-,18-,19-,20+/m0/s1
InChI=1S/C24H40N4O7/c1-15(2)13-18(20(29)23(32)35-3)27-21(30)17(11-7-8-12-25)26-22(31)19(28-24(33)34)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-20,24,28-29,33-34H,7-8,11-14,25H2,1-3H3,(H,26,31)(H,27,30)/t17-,18-,19-,20+/m0/s1
SMILES: CC(C)C[C@@H]([C@H](C(=O)OC)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(O)O
CC(C)C[C@@H]([C@H](C(=O)OC)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(O)O
Biounit #1
monomer
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Model
Reference
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