8PFK
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![BU of 8pfk by Molmil](/molmil-images/mine/8pfk) | RNA structure with 1-methylpseudoridine, C2 space group | Descriptor: | MAGNESIUM ION, RNA (12-mer) | Authors: | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | Deposit date: | 2023-06-16 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
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8PFQ
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![BU of 8pfq by Molmil](/molmil-images/mine/8pfq) | RNA structure with 1-methylpseudoridine, P1 space group | Descriptor: | Chains: A,B, MAGNESIUM ION | Authors: | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | Deposit date: | 2023-06-16 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
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8PDD
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![BU of 8pdd by Molmil](/molmil-images/mine/8pdd) | Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8OPB
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8OT8
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![BU of 8ot8 by Molmil](/molmil-images/mine/8ot8) | |
6N2P
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![BU of 6n2p by Molmil](/molmil-images/mine/6n2p) | Helical assembly of the CARD9 CARD | Descriptor: | Caspase recruitment domain-containing protein 9 | Authors: | Holliday, M.J, Rohou, A, Arthur, C.P, Dueber, E.C, Fairbrother, W.J. | Deposit date: | 2018-11-13 | Release date: | 2019-07-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation. Nat Commun, 10, 2019
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8P64
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![BU of 8p64 by Molmil](/molmil-images/mine/8p64) | Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | Authors: | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | Deposit date: | 2023-05-25 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. Rsc Med Chem, 15, 2024
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8ORC
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![BU of 8orc by Molmil](/molmil-images/mine/8orc) | Mus Musculus Acetylcholinesterase in complex with AL237 | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Ekstrom, F.E, Linusson, A. | Deposit date: | 2023-04-13 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes To Be Published
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8P1G
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![BU of 8p1g by Molmil](/molmil-images/mine/8p1g) | Crystal structure of inactive TtCE16 in complex with acetate | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P. | Deposit date: | 2023-05-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. Carbohydr Polym, 327, 2024
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8OUI
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![BU of 8oui by Molmil](/molmil-images/mine/8oui) | Complex of ASCT2 with Suppressyn | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Suppressyn | Authors: | Khare, S, Kumar, A, Reyes, N. | Deposit date: | 2023-04-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins. Nat.Struct.Mol.Biol., 2024
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8P2F
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![BU of 8p2f by Molmil](/molmil-images/mine/8p2f) | Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane in post-translocational state | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ... | Authors: | Gonzalez-Lopez, A, Selmer, M. | Deposit date: | 2023-05-16 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane. Sci Rep, 14, 2024
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3CQV
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![BU of 3cqv by Molmil](/molmil-images/mine/3cqv) | Crystal structure of Reverb beta in complex with heme | Descriptor: | Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-03 | Release date: | 2008-08-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta. Plos Biol., 7, 2009
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8OUB
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8OTP
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8PEE
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![BU of 8pee by Molmil](/molmil-images/mine/8pee) | ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2023-06-13 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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8P2H
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8P2G
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![BU of 8p2g by Molmil](/molmil-images/mine/8p2g) | Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane with a tRNA in pe/E chimeric state | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ... | Authors: | Gonzalez-Lopez, A, Selmer, M. | Deposit date: | 2023-05-16 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.02 Å) | Cite: | Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane. Sci Rep, 14, 2024
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8OXR
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8OZ2
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![BU of 8oz2 by Molmil](/molmil-images/mine/8oz2) | |
8P2E
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8P5K
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![BU of 8p5k by Molmil](/molmil-images/mine/8p5k) | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8PAW
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![BU of 8paw by Molmil](/molmil-images/mine/8paw) | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | Descriptor: | 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ASPARTIC ACID, ... | Authors: | Friberg, A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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8P43
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8OUO
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![BU of 8ouo by Molmil](/molmil-images/mine/8ouo) | Human TPC2 in Complex with Antagonist (S)-SG-094 | Descriptor: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | Deposit date: | 2023-04-24 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist. Structure, 2024
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8P8M
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![BU of 8p8m by Molmil](/molmil-images/mine/8p8m) | Yeast 60S ribosomal subunit, RPL39 deletion | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-01 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Yeast 60S ribosomal subunit, RPL39 deletion To Be Published
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