7E6Q
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![BU of 7e6q by Molmil](/molmil-images/mine/7e6q) | Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B. | Deposit date: | 2021-02-23 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors. Rsc Adv, 11, 2021
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8G1P
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![BU of 8g1p by Molmil](/molmil-images/mine/8g1p) | Co-crystal structure of Compound 11 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Ghimire Rijal, S, Wurz, R.P, Vaish, A. | Deposit date: | 2023-02-02 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation. Nat Commun, 14, 2023
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8G1Q
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![BU of 8g1q by Molmil](/molmil-images/mine/8g1q) | Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | Authors: | Ghimire Rijal, S, Wurz, R.P, Vaish, A. | Deposit date: | 2023-02-02 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation. Nat Commun, 14, 2023
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8EOZ
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![BU of 8eoz by Molmil](/molmil-images/mine/8eoz) | |
5FGF
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![BU of 5fgf by Molmil](/molmil-images/mine/5fgf) | |
5FGI
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![BU of 5fgi by Molmil](/molmil-images/mine/5fgi) | |
5EDX
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![BU of 5edx by Molmil](/molmil-images/mine/5edx) | Crystal structure of swine CD8aa homodimer | Descriptor: | CD8 alpha antigen | Authors: | Liu, Y.J, Qi, J.X, Zhang, N.Z, Xia, C. | Deposit date: | 2015-10-22 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species. Sci Rep, 6, 2016
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5E00
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![BU of 5e00 by Molmil](/molmil-images/mine/5e00) | Structure of HLA-A2 P130 | Descriptor: | Beta-2-microglobulin, GLY-VAL-TRP-ILE-ARG-THR-PRO-PRO-ALA, HLA class I histocompatibility antigen, ... | Authors: | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | Deposit date: | 2015-09-26 | Release date: | 2017-01-18 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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8J0D
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![BU of 8j0d by Molmil](/molmil-images/mine/8j0d) | FCP heterodimer, Lhca2, and Lhcf5 together as the M1 side binds to the PSII core in the diatom Thalassiosira pseudonana | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Li, Z, Feng, Y, Wang, W, Shen, J.R. | Deposit date: | 2023-04-10 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII. Sci Adv, 9, 2023
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8J0H
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![BU of 8j0h by Molmil](/molmil-images/mine/8j0h) | |
5GNK
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![BU of 5gnk by Molmil](/molmil-images/mine/5gnk) | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-07-21 | Release date: | 2017-04-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode. J. Med. Chem., 60, 2017
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5FOG
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![BU of 5fog by Molmil](/molmil-images/mine/5fog) | Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA) | Descriptor: | 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ... | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-20 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5EB9
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![BU of 5eb9 by Molmil](/molmil-images/mine/5eb9) | Crystal Structure Of Chicken CD8aa Homodimer | Descriptor: | CD8 alpha chain | Authors: | Liu, Y.J, Qi, J.X, Xia, C. | Deposit date: | 2015-10-18 | Release date: | 2016-09-14 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species. Sci Rep, 6, 2016
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5GTY
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![BU of 5gty by Molmil](/molmil-images/mine/5gty) | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-08-23 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode. Oncotarget, 8, 2017
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7WBP
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![BU of 7wbp by Molmil](/molmil-images/mine/7wbp) | |
7WBL
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![BU of 7wbl by Molmil](/molmil-images/mine/7wbl) | Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2021-12-17 | Release date: | 2022-01-19 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2. Cell, 185, 2022
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6IRO
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![BU of 6iro by Molmil](/molmil-images/mine/6iro) | the crosslinked complex of ISWI-nucleosome in the ADP-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ... | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | Deposit date: | 2018-11-13 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling. Nat. Struct. Mol. Biol., 26, 2019
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5ISM
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![BU of 5ism by Molmil](/molmil-images/mine/5ism) | Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor | Descriptor: | (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2016-03-15 | Release date: | 2016-05-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5IL7
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![BU of 5il7 by Molmil](/molmil-images/mine/5il7) | |
6MWY
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![BU of 6mwy by Molmil](/molmil-images/mine/6mwy) | The Prp8 intein of Cryptococcus gattii | Descriptor: | Pre-mRNA-processing-splicing factor 8 | Authors: | Li, Z, Fu, B, Green, C.M, Lang, Y, Zhang, J, Oven, T.S, Li, X, Callahan, B.P, Chaturvedi, S, Belfort, M, Liao, G, Li, H. | Deposit date: | 2018-10-30 | Release date: | 2019-11-06 | Last modified: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Cisplatin protects mice from challenge ofCryptococcus neoformansby targeting the Prp8 intein. Emerg Microbes Infect, 8, 2019
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7WNQ
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![BU of 7wnq by Molmil](/molmil-images/mine/7wnq) | Cryo-EM structure of AtSLAC1 S59A mutant | Descriptor: | Guard cell S-type anion channel SLAC1 | Authors: | Sun, L, Liu, X, Li, Y. | Deposit date: | 2022-01-19 | Release date: | 2022-04-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the Arabidopsis guard cell anion channel SLAC1 suggests activation mechanism by phosphorylation. Nat Commun, 13, 2022
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8IJA
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![BU of 8ija by Molmil](/molmil-images/mine/8ija) | Cryo-EM structure of human HCAR2-Gi complex with niacin | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-26 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJD
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![BU of 8ijd by Molmil](/molmil-images/mine/8ijd) | Cryo-EM structure of human HCAR2-Gi complex with MK-6892 | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJ3
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![BU of 8ij3 by Molmil](/molmil-images/mine/8ij3) | Cryo-EM structure of human HCAR2-Gi complex without ligand (apo state) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-24 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJB
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![BU of 8ijb by Molmil](/molmil-images/mine/8ijb) | Cryo-EM structure of human HCAR2-Gi complex with acipimox | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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