6IZQ
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![BU of 6izq by Molmil](/molmil-images/mine/6izq) | PRMT4 bound with a bicyclic compound | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | Deposit date: | 2018-12-20 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
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8JOP
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![BU of 8jop by Molmil](/molmil-images/mine/8jop) | Crystal structure of the SARS-CoV-2 main protease in complex with 11a | Descriptor: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Authors: | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | Deposit date: | 2023-06-08 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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3O0Z
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3OKQ
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![BU of 3okq by Molmil](/molmil-images/mine/3okq) | |
3ONX
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![BU of 3onx by Molmil](/molmil-images/mine/3onx) | |
3P0S
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3P3C
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![BU of 3p3c by Molmil](/molmil-images/mine/3p3c) | Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex | Descriptor: | N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2010-10-04 | Release date: | 2011-01-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem.Biol., 18, 2011
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3P3E
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![BU of 3p3e by Molmil](/molmil-images/mine/3p3e) | Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex | Descriptor: | N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, NITRATE ION, SODIUM ION, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2010-10-04 | Release date: | 2011-01-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem.Biol., 18, 2011
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3P3G
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![BU of 3p3g by Molmil](/molmil-images/mine/3p3g) | Crystal Structure of the Escherichia coli LpxC/LPC-009 complex | Descriptor: | 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2010-10-04 | Release date: | 2011-01-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem.Biol., 18, 2011
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3OQV
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![BU of 3oqv by Molmil](/molmil-images/mine/3oqv) | AlbC, a cyclodipeptide synthase from Streptomyces noursei | Descriptor: | AlbC, DITHIANE DIOL, PHOSPHATE ION | Authors: | Sauguet, L, Ledu, M.H, Charbonnier, J.B, Gondry, M. | Deposit date: | 2010-09-04 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclodipeptide synthases, a family of class-I aminoacyl-tRNA synthetase-like enzymes involved in non-ribosomal peptide synthesis. Nucleic Acids Res., 39, 2011
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6CKO
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![BU of 6cko by Molmil](/molmil-images/mine/6cko) | Crystal structure of an AF10 fragment | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10, ... | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-28 | Release date: | 2018-03-21 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis. Genes Dev., 32, 2018
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3OOI
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![BU of 3ooi by Molmil](/molmil-images/mine/3ooi) | Crystal Structure of Human Histone-Lysine N-methyltransferase NSD1 SET domain in Complex with S-adenosyl-L-methionine | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | Authors: | Qiao, Q, Wang, M, Xu, R.M. | Deposit date: | 2010-08-31 | Release date: | 2010-12-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of NSD1 reveals an autoregulatory mechanism underlying histone H3K36 methylation J.Biol.Chem., 286, 2010
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7ZJS
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3PS1
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![BU of 3ps1 by Molmil](/molmil-images/mine/3ps1) | Crystal structure of the Escherichia Coli LPXC/LPC-011 complex | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2010-11-30 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold. Bioorg.Med.Chem., 19, 2011
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3PS2
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![BU of 3ps2 by Molmil](/molmil-images/mine/3ps2) | Crystal structure of the Escherichia Coli LPXC/LPC-012 complex | Descriptor: | 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2010-11-30 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold. Bioorg.Med.Chem., 19, 2011
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4JLR
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![BU of 4jlr by Molmil](/molmil-images/mine/4jlr) | Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with Motavizumab | Descriptor: | Motavizumab Fab heavy chain, Motavizumab Fab light chain, PENTAETHYLENE GLYCOL, ... | Authors: | Rupert, P.B, Correia, B, Schief, W, Strong, R.K. | Deposit date: | 2013-03-12 | Release date: | 2014-02-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Proof of principle for epitope-focused vaccine design. Nature, 507, 2014
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5ZZ8
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![BU of 5zz8 by Molmil](/molmil-images/mine/5zz8) | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | Descriptor: | Major capsid protein, UL17, UL25, ... | Authors: | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-05-31 | Release date: | 2018-10-10 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component. Nat Commun, 9, 2018
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5WWU
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![BU of 5wwu by Molmil](/molmil-images/mine/5wwu) | Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-05 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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7DP8
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![BU of 7dp8 by Molmil](/molmil-images/mine/7dp8) | Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-12-18 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.446 Å) | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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6LID
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![BU of 6lid by Molmil](/molmil-images/mine/6lid) | Heteromeric amino acid transporter b0,+AT-rBAT complex | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2019-12-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT. Sci Adv, 6, 2020
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5XSG
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![BU of 5xsg by Molmil](/molmil-images/mine/5xsg) | Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED | Descriptor: | RNA-binding protein FUS | Authors: | Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C. | Deposit date: | 2017-06-14 | Release date: | 2018-04-04 | Last modified: | 2024-03-27 | Method: | ELECTRON CRYSTALLOGRAPHY (0.73 Å) | Cite: | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation. Nat. Struct. Mol. Biol., 25, 2018
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6LI9
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![BU of 6li9 by Molmil](/molmil-images/mine/6li9) | Heteromeric amino acid transporter b0,+AT-rBAT complex bound with Arginine | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, ... | Authors: | Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2019-12-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT. Sci Adv, 6, 2020
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6J23
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![BU of 6j23 by Molmil](/molmil-images/mine/6j23) | Crystal structure of arabidopsis ADAL complexed with GMP | Descriptor: | Adenosine/AMP deaminase family protein, GUANOSINE-5'-MONOPHOSPHATE, ZINC ION | Authors: | Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J. | Deposit date: | 2018-12-30 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing. Rna Biol., 16, 2019
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6J56
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![BU of 6j56 by Molmil](/molmil-images/mine/6j56) | Crystal structure of Myosin VI CBD in complex with Tom1 MBM | Descriptor: | Peptide from Target of Myb protein 1, Unconventional myosin-VI | Authors: | Hu, S, Pan, L. | Deposit date: | 2019-01-10 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structure of Myosin VI/Tom1 complex reveals a cargo recognition mode of Myosin VI for tethering. Nat Commun, 10, 2019
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6J4T
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![BU of 6j4t by Molmil](/molmil-images/mine/6j4t) | Crystal structure of arabidopsis ADAL complexed with IMP | Descriptor: | Adenosine/AMP deaminase family protein, INOSINIC ACID, ZINC ION | Authors: | Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J. | Deposit date: | 2019-01-10 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing. Rna Biol., 16, 2019
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