2024-05-22 REL PDBe PDBe PDBe 2019-11-07 2019-11-27 2020-08-26 2024-05-22 Leishmania tarentolae proteasome 20S subunit complexed with LXE408 Srinivas H Proteasome complex, inhibitor, peptidase, hydrolase Nagle A Biggart A Be C Srinivas H Hein A Caridha D Sciotti RJ Pybus B Kreishman-Deitrick M Bursulaya B Lai YH Gao MY Liang F Mathison CJN Liu X Yeh V Smith J Lerario I Xie Y Chianelli D Gibney M Berman A Chen YL Jiricek J Davis LC Liu X Ballard J Khare S Eggimann FK Luneau A Groessl T Shapiro M Richmond W Johnson K Rudewicz PJ Rao SPS Thompson C Tuntland T Spraggon G Glynne RJ Supek F Wiesmann C Molteni V Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem. US 63 10773 10781 2020 32667203 doi:10.1021/acs.jmedchem.0c00499 0022-2623 0151 JMCMAR 6tcz FULLOVERLAP Leishmania tarentolae proteasome 20S subunit complex Leishmania tarentolae proteasome 20S subunit complex 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 Leishmania donovani Proteasome subunit alpha type Leishmania donovani 0.027178107 2 Leishmania tarentolae LEVO MNRAGFDKYITVFSPEGSLYQVEYAFKAVTYPGLLTVAIRCKDAVLVVTQHLIPDRLMRPDSVTALYEVTPNIGCCMTGR APDGRALVQRAREEASDYQYRYGVEIPIAVLAKRMGDKAQVRTQQAGLRPMGVVSTFIGMDQSDQDGSLKPQIYTVDPAG WTGGHIACAAGKKQVEAMAFLEKRQKSTELDALTQKEAAMIALAALQSAIGTAVKAKEVEVGRCTAANPAFQRVPNSEVE EWLTAVAEAD 3.4.25.1 Proteasome subunit alpha type Leishmania donovani 0.025179559 2 Leishmania tarentolae LEVO MSEAFYGLTTFSPSGKLIQIEYATTAAGKGTTALGVKATDGVVIAAKKKAPSTLVDASSIQKVFVLDEHVGCTYSGMGPD CRVLIDSARKNCQQYKLMYNEPIPISQLVRKISAIYQEFTQSGGVRPFGCSLLVAGVDANGYHLYQVDPSGTFWAWKATA IGTGSPDAKAFLEKRYTVDMELEDAVHTALLTLKEGFDGQMTSENTQVGRVVENRFEILSVDQLRDYLDQI 3.4.25.1 Proteasome subunit alpha type Leishmania donovani 0.032321437999999994 2 Leishmania tarentolae LEVO MSHRYDSRTTTFSPEGRLYQVEYAVEAIQQAGTVIGVCTKDGVVLAGEKMVPHPLFDSESMQDKNTSGEKMYKIAEHIGC SVAGVTSDAYALLNYARLSALRHQYTFQEPMAIEDLCRILCDEKQLYTQYGGVRPYGVSFLLVGWDRYYGYQLYSTEPSG DYSAWSAYAIGQNDQVAHALLKKDWHESMTLEDGMLLALRVLGKTMDTAKIDLDRVEVAVMRKVPASNIDQLLDPFKHHP KTTPRFQILTRSELKPHAERADQAREAEEKAEAERQRQQEQALES 3.4.25.1 Proteasome endopeptidase complex Leishmania donovani 0.027821605 2 Leishmania tarentolae LEVO MSYDRAITVFSPDGHLFQVEYAQEAVKKGLAAVGVLGSDSVVIAVEKKSAVKLQDSRTIRKIYKVDANIYLAFAGLSADA RVLINKAQLECQRFSLNYEDTMDVDMLVRYVAGVQQKSTQSGGSRPFGVATVIGGFNEDGKPHLWKTDPSGMCSAWRAVA IGRHDQTVIEYMEKSYKDGMSRDECVHFAIKSLLEVVESGSRNIELLVLQYKEARYLTEEELQKFVVEVEKEREEEAAAK KKRQAEQE 3.4.25.1 Proteasome subunit alpha type Leishmania donovani 0.038312316 2 Leishmania tarentolae LEVO MLLPRLFSFPVCWSRALSLVCVYHVSLSFPSNSRRLCATPLLPLPCLCKLPAGHSPRKRCLFSFLSCFLDLTYFCIISFL HSVSCHLCFPLRRTRARHPIMFTSKSEYDRGVNTFSPEGRIFQIEYAVEAIKLGSTSLGIRTPEGVVLAAEKRVPSTLVV PSSMSKIMEVDSHIAAVMSGMVADARILVEHARVESQNHRFTYNEPMSVESCTLATCDLSIQFGESGGRRKLMSRPFGVS LLIAGVDEKGPQLWQTDPSGTHTRYDAQAIGGGAEAAQSVFTERYHRNMTLEEGETLAVDILKQVMEDQLSPENIEVAVV RADDGKLHMYTPTEIKAIMSRMPE 3.4.25.1 Proteasome subunit alpha type Leishmania donovani 0.047978633 2 Leishmania tarentolae LEVO MQSRKGEGWRDTGTDSLPPFSFCCSPAFSSPLAFGGEGADGCAYILTHVCRYACIAALTLHSEGAERHMRVCVCVRRCAY NEMVLHQVVAFASLAPALHPLSPLPLPCMATTHACCGLRVRSFSLKKSEKKNQQRRLQAPDLSQKTRTRTQKEKQTLQIY LRCVMFKNEYDSDITTWSPTGRLFQIEYANEAVNNGSATVGVKGKNFVVLAALKRSPVAELSSYQEKVFEIDEHVGMSIS GLVADGRVLARYLRTECMNYRYMYSNGMPMNQMADMIGEKHQRHIQCSGKRPFGVGLLLAGYDRQGPHLYQTVPSGDVYD YKATAMGVRSQASRTYLERHFEHFSDCTLDELVTHALKALASATSEGIELNVKNTTIAIVGKDTPFTIFEEESARKYLDG FKMRPEDRVAVAEEDEEMLHEQPLDVEE 3.4.25.1 Proteasome endopeptidase complex Leishmania donovani 0.025591825999999998 2 Leishmania tarentolae LEVO MAGTGSGHDQSTDVFSAEGRVFQVEYAGKAVDNSSTAVAACCKDGVVVAVEKVHTSRMLEKGSNNRIHAVDRQAGICICG LLPDGRAIVSRARQEAENSRDIFATPIRGSVLANRVGEFMHAYTTHFAYRPFGCSAIIASYADDGPQLFVSDPSGTVAGY YGVALGKAKTVAKSELEKLDFSSLTCDEAVGKLASILHEVHDKQKDKLYEVEVAWVCDKSDRKFVHVPADMVPAETSH 3.4.25.1 Proteasome subunit beta Leishmania donovani 0.030280009999999996 2 Leishmania tarentolae LEVO MLQRPDHTLLQEPAYPKDIAQKLTENGPAQAGKQLFQPDPAVIDPQLSKAVSLGTTILAVSYNGGVVLAADSRTSSGTYV VNRASNKLTKLTKKIYCCRSGSAADTQALAERVSNYLGSYQTDIGAGVNVATAANLFQKMCYMNRWNISAGIIVAGYDPI NGGSVYSIPSGGSCVKLDYALGGSGSIFLYSFFDANYKPGMSKSECVAFCQRAVAHAYSRDGSSGGLIRTITLDADEPED QTIPWNRSPYCMEKDPKYVTQATQNQPFSSSAKITGNRMSSTG 3.4.25.1 Proteasome subunit beta Leishmania donovani 0.027603569999999997 2 Leishmania tarentolae LEVO MPGFNFENVQRNLNLEGEGYSAPRTLKTGTTIVGVVYRDGVVLGADTRATEGSIVADKRCRKIHYMAPNIMCCGAGTSAD TEAVTNMVSSHLALHRLETGKQSRVLEALTLLKRHLYRYQGHVSAALVLGGVDVEGPFLATIAPHGSTDRLPFVTMGSGS IAAMAQLEAAYKDNMTCEEAKELVASAIRKGIFNDPYSGTQVDVCVITKDKTELTIGYDKPNERMYPRQEVLLPPGTTPV LKEEIRQLVDIVDA 3.4.25.1 Proteasome subunit beta Leishmania donovani 0.022470887 2 Leishmania tarentolae LEVO MSIMAYSGGSVMAMAGKECFVIISDNRLGEQLKTISTEVPKLHVVNDSIVYGLTGLRTDQQTFANKVQFRTEMYKLREER DITGKAFAAMITSMLYEARFGPWFVEPVIGSIDKSTGEVYLCATDLIGAPCEPEDYVCAGTAAESLHGMCEALWRPGMSP EELFEIAAQAMLSACDRDSLSGYGAVAMIVTKDKVTTRLIKGRKD 3.4.25.1 Proteasome subunit family protein Leishmania donovani 0.023065291 2 Leishmania tarentolae LEVO MAETAIAFRCKDYVMVAAAGLNAFYYIKITDAEDKITQLDTHQLVACTGENGPRVNFTEYIKCNLALNRMRQHGRHSSCE STANFMRNCLASAIRSREGAYQVNCLFAGYDTPVSEDDDGVVGPQLFYMDYLGTLQAVPYGCHGYGACFVTALLDRLWRP DLSQQEGLELMQKCCDEVKRRVIISNSYFFVKAVTKNGVEVITAVH Proteasome subunit beta Leishmania donovani 0.033704867 2 Leishmania tarentolae LEVO MFADFEAVTSSNFTLDDCPRVGPFTYHNMDEDTLEEPLSLCSYRRAPQQTDERSPASCDAVTADPLDSSRYLHGENRCWT LKVSCPVPRAIPKLDMKKGTTTLAFRFNGGIIVAVDSRASTGQYIASQTVMKVLEINDYLLGTLAGGAADCQYWERVLGM ECRLWELRNGSRITVAAASKILANITYAYRNHGLSMGTMVAGWDQFGPSLYYVDDKGSRVKQDLFSVGSGSIYAYGVLDT GYRKDLSVEDACDLARRSIFHATYRDGASGGIVTVYHVHEKGWTKISRDDQTKLYHRYFPSQ 3.4.25.1 Proteasome subunit beta Leishmania donovani 0.03767691 2 Leishmania tarentolae LEVO MASSSPPLLPFSSFVVAVVAIHLSFRVFCVGAQSLCKCCSCVPACALPLCFSSSPSVSAEDVALALFAHPKVLTHRPTAR YSPILSLLHYAVMIEDHAEYGHNYYPQKLASSTLTLPQQGAKQQQWSPYQDNGGTTAAIAGKDFVILAGDTRLNGDFCLH SRHDQSKIFQLTPYTYMASNGMQADRLQLQQMLKYRVKWYKYNNGGKVPSTKAIAQLMSTMLYHRRFFPYYTFNMVVGLD EEGHGVCYSYDAVGSTEPFLYGTRGSAASFVEPLLDCLINRQHMTSQAPPEMTKEETLAMLKNAFTGAAERDIYTGDSVS FFIITKDGVQQESFELRKD 3.4.25.1 Proteasome subunit beta Leishmania donovani 0.024737231999999998 2 Leishmania tarentolae LEVO MASGGSVIAIKYKGGVLMAADTLLSYGSLAKWPNIPRIRLLGSHSAVCATGSYADFQMMAKQVEDNIERQKMYHNVDELS PSEVFSYLHRSIYQKRCDFDPCLCQMVFIGVRDGETFLAGVDDVGTRWEDDCIATGYGAYIALPLLRQALEKNPDGLSRG EAMRILTDCLRVLFYRECRAINKFQVADAASDGVRISEPFDVETHWEYEGYCFEKTAIIR 3.4.25.1 ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide 0.00044343299999999997 2 N2E singleParticle particle 3 7.5 ETHANE FEI TITAN KRIOS FLOOD BEAM BRIGHT FIELD FIELD EMISSION GUN 300 GATAN K2 QUANTUM (4k x 4k) 1.0 1 C2 3.4 FSC 0.143 CUT-OFF 38000 MAXIMUM LIKELIHOOD MAXIMUM LIKELIHOOD emd_10462.map.gz 1 IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) 300 300 300 0 0 0 300 300 300 255.6 255.6 255.6 90.0 90.0 90.0 X Y Z -0.07269533 0.110898405 0.0004523655 0.004954999 0.852 0.852 0.852 0.0154 AUTHOR emd_10462_msk_1.map emd_10462_half_map_2.map.gz 1 IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) 300 300 300 0 0 0 300 300 300 255.6 255.6 255.6 90.0 90.0 90.0 X Y Z -0.033645373 0.039964087 -0.000048107806 0.0038157902 0.852 0.852 0.852 AUTHOR emd_10462_half_map_1.map.gz 1 IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) 300 300 300 0 0 0 300 300 300 255.6 255.6 255.6 90.0 90.0 90.0 X Y Z -0.030260667 0.04170985 -0.00004778133 0.0039700535 0.852 0.852 0.852 AUTHOR