5WSH
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![BU of 5wsh by Molmil](/molmil-images/mine/5wsh) | Structure of HLA-A2 P130 | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ... | Authors: | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | Deposit date: | 2016-12-07 | Release date: | 2017-12-20 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2 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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3KA7
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![BU of 3ka7 by Molmil](/molmil-images/mine/3ka7) | Crystal Structure of an oxidoreductase from Methanosarcina mazei. Northeast Structural Genomics Consortium target id MaR208 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | Authors: | Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-18 | Release date: | 2009-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of an oxidoreductase from Methanosarcina mazei To be Published
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7SGO
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![BU of 7sgo by Molmil](/molmil-images/mine/7sgo) | |
7SGP
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![BU of 7sgp by Molmil](/molmil-images/mine/7sgp) | |
7SGN
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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4MSK
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![BU of 4msk by Molmil](/molmil-images/mine/4msk) | Co-crystal structure of tankyrase 1 with compound 34 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4MT9
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![BU of 4mt9 by Molmil](/molmil-images/mine/4mt9) | Co-crystal structure of tankyrase 1 with compound 49 | Descriptor: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-09-19 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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7YOJ
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![BU of 7yoj by Molmil](/molmil-images/mine/7yoj) | Structure of CasPi with guide RNA and target DNA | Descriptor: | CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ... | Authors: | Li, C.P, Wang, J, Liu, J.J. | Deposit date: | 2022-08-01 | Release date: | 2023-02-15 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation. Cell Res., 33, 2023
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4WD5
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![BU of 4wd5 by Molmil](/molmil-images/mine/4wd5) | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2014-09-07 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 To Be Published
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8IM0
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![BU of 8im0 by Molmil](/molmil-images/mine/8im0) | mCherry-LaM8 complex | Descriptor: | LaM8, MCherry fluorescent protein | Authors: | Liang, H, Liu, R, Ding, Y. | Deposit date: | 2023-03-05 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023
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8ILX
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![BU of 8ilx by Molmil](/molmil-images/mine/8ilx) | mCherry-LaM3 complex | Descriptor: | LAM3, MCherry fluorescent protein | Authors: | Liang, H, Liu, R, Ding, Y. | Deposit date: | 2023-03-05 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023
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8IM1
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![BU of 8im1 by Molmil](/molmil-images/mine/8im1) | mCherry-LaM1 complex | Descriptor: | LaM1, MCherry fluorescent protein, SULFATE ION | Authors: | Liang, H, Liu, R, Ding, Y. | Deposit date: | 2023-03-05 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023
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8HPE
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![BU of 8hpe by Molmil](/molmil-images/mine/8hpe) | Crystal structure of Leucine dehydrogenase | Descriptor: | GLYCEROL, Leucine dehydrogenase, SULFATE ION | Authors: | Li, X, Song, W. | Deposit date: | 2022-12-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine. Chembiochem, 24, 2023
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8HR6
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![BU of 8hr6 by Molmil](/molmil-images/mine/8hr6) | |
3J70
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![BU of 3j70 by Molmil](/molmil-images/mine/3j70) | Model of gp120, including variable regions, in complex with CD4 and 17b | Descriptor: | Envelope glycoprotein gp120, T-cell surface glycoprotein CD4, envelope glycoprotein gp41, ... | Authors: | Rasheed, M, Bettadapura, R, Bajaj, C. | Deposit date: | 2014-04-22 | Release date: | 2015-08-26 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Computational Refinement and Validation Protocol for Proteins with Large Variable Regions Applied to Model HIV Env Spike in CD4 and 17b Bound State. Structure, 23, 2015
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9BA4
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![BU of 9ba4 by Molmil](/molmil-images/mine/9ba4) | Full-length cross-linked Contactin 2 (CNTN2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-2 | Authors: | Liu, J.L, Fan, S.F, Ren, G.R, Rudenko, G.R. | Deposit date: | 2024-04-03 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Molecular mechanism of contactin 2 homophilic interaction. Structure, 2024
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9BA5
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2OYS
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![BU of 2oys by Molmil](/molmil-images/mine/2oys) | Crystal Structure of SP1951 protein from Streptococcus pneumoniae in complex with FMN, Northeast Structural Genomics Target SpR27 | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Hypothetical protein SP1951 | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Janjua, H, Satterwhite, R, Liu, J, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-02-22 | Release date: | 2007-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional insights from structural genomics. J.Struct.Funct.Genom., 8, 2007
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3ZO6
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![BU of 3zo6 by Molmil](/molmil-images/mine/3zo6) | |
7YSX
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![BU of 7ysx by Molmil](/molmil-images/mine/7ysx) | Crystal structure of PDE4D complexed with licoisoflavone A | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2022-08-13 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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7YQF
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![BU of 7yqf by Molmil](/molmil-images/mine/7yqf) | Crystal structure of PDE4D complexed with glycyrrhisoflavone | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2022-08-06 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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5XNP
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![BU of 5xnp by Molmil](/molmil-images/mine/5xnp) | Crystal structures of human SALM5 in complex with human PTPdelta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Liu, H, Lin, Z, Xu, F. | Deposit date: | 2017-05-24 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.729 Å) | Cite: | Structural basis of SALM5-induced PTP delta dimerization for synaptic differentiation Nat Commun, 9, 2018
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5X04
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![BU of 5x04 by Molmil](/molmil-images/mine/5x04) | 12:0-ACP thioesterase from Umbellularia californica | Descriptor: | Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic | Authors: | Xue, S, Feng, Y. | Deposit date: | 2017-01-19 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design. ACS Chem. Biol., 12, 2017
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