4EEE
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7DNK
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![BU of 7dnk by Molmil](/molmil-images/mine/7dnk) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9 | Descriptor: | Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (6.41 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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7DNL
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![BU of 7dnl by Molmil](/molmil-images/mine/7dnl) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of A4B4 | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of A4B4 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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7X9Q
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![BU of 7x9q by Molmil](/molmil-images/mine/7x9q) | Crystal structure of human STING complexed with compound BSP16 | Descriptor: | (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | Deposit date: | 2022-03-15 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents. J.Med.Chem., 65, 2022
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4NWT
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![BU of 4nwt by Molmil](/molmil-images/mine/4nwt) | Crystal structure of the anti-human NGF Fab APE1531 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, APE1531 Ab Fab heavy chain, ... | Authors: | Verdino, P, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2013-12-06 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Nucleotide insertions and deletions complement point mutations to massively expand the diversity created by somatic hypermutation of antibodies. J.Biol.Chem., 289, 2014
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4OE1
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![BU of 4oe1 by Molmil](/molmil-images/mine/4oe1) | Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt PSAJ rna element | Descriptor: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | Authors: | Li, Q, Yan, C, Wu, J, Yin, P, Yan, N. | Deposit date: | 2014-01-11 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Examination of the dimerization states of the single-stranded RNA recognition protein pentatricopeptide repeat 10 (PPR10). J.Biol.Chem., 289, 2014
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4JAJ
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![BU of 4jaj by Molmil](/molmil-images/mine/4jaj) | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4NWU
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4Q9V
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![BU of 4q9v by Molmil](/molmil-images/mine/4q9v) | Crystal structure of TIPE3 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3 | Authors: | Wu, J, Zhang, X, Chen, Y.H, Shi, Y. | Deposit date: | 2014-05-02 | Release date: | 2014-10-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer. Cancer Cell, 26, 2014
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4JAI
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![BU of 4jai by Molmil](/molmil-images/mine/4jai) | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4L8B
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![BU of 4l8b by Molmil](/molmil-images/mine/4l8b) | Crystal structure of the H2Db in complex with the NP-N5H peptide | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, H-2 class I histocompatibility antigen, ... | Authors: | Rossjohn, J, Gras, S. | Deposit date: | 2013-06-16 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides. Nat Commun, 4, 2013
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7X9P
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![BU of 7x9p by Molmil](/molmil-images/mine/7x9p) | Crystal structure of human STING complexed with compound BSP17 | Descriptor: | 4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | Deposit date: | 2022-03-15 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Selenium-containing STING agonists as orally available anti tumor agents To be published
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4L8D
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![BU of 4l8d by Molmil](/molmil-images/mine/4l8d) | Crystal structure of the H2Db in complex with the NP-N5D peptide | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Rossjohn, J, Gras, S. | Deposit date: | 2013-06-16 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides. Nat Commun, 4, 2013
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4L8C
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![BU of 4l8c by Molmil](/molmil-images/mine/4l8c) | Crystal structure of the H2Db in complex with the NP-N3D peptide | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Rossjohn, J, Gras, S. | Deposit date: | 2013-06-16 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides. Nat Commun, 4, 2013
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6MO5
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![BU of 6mo5 by Molmil](/molmil-images/mine/6mo5) | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6JN4
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![BU of 6jn4 by Molmil](/molmil-images/mine/6jn4) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN5
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![BU of 6jn5 by Molmil](/molmil-images/mine/6jn5) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN3
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![BU of 6jn3 by Molmil](/molmil-images/mine/6jn3) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN6
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![BU of 6jn6 by Molmil](/molmil-images/mine/6jn6) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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7VCF
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![BU of 7vcf by Molmil](/molmil-images/mine/7vcf) | Cryo-EM structure of Chlamydomonas TOC-TIC supercomplex | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wu, J, Yan, Z, Jin, Z, Zhang, Y. | Deposit date: | 2021-09-02 | Release date: | 2022-11-30 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structure of a TOC-TIC supercomplex spanning two chloroplast envelope membranes. Cell, 185, 2022
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6KVE
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7X27
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![BU of 7x27 by Molmil](/molmil-images/mine/7x27) | MERS-CoV spike complex | Descriptor: | Spike glycoprotein | Authors: | Zeng, J.W, Zhang, S.Y, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | cryo-EM structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein To Be Published
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6M19
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![BU of 6m19 by Molmil](/molmil-images/mine/6m19) | Template lasso peptide C24 mutant W14F | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-02-25 | Release date: | 2021-03-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7ESX
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![BU of 7esx by Molmil](/molmil-images/mine/7esx) | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip | Descriptor: | Bacteria factor 1 | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
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7ESY
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![BU of 7esy by Molmil](/molmil-images/mine/7esy) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip | Descriptor: | Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-05-12 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors. Proc.Natl.Acad.Sci.USA, 118, 2021
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