5NHJ
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![BU of 5nhj by Molmil](/molmil-images/mine/5nhj) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHP
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![BU of 5nhp by Molmil](/molmil-images/mine/5nhp) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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1OIB
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1OVE
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![BU of 1ove by Molmil](/molmil-images/mine/1ove) | The structure of p38 alpha in complex with a dihydroquinolinone | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14 | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-26 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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7NEK
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![BU of 7nek by Molmil](/molmil-images/mine/7nek) | SusD protein from human gut uncultured Bacteroides | Descriptor: | GLYCEROL, RagB SusD domain containing protein | Authors: | Cioci, C, Tauzin, A, Wang, Z, Machado, B, Lippens, G, Potocki-Veronese, G. | Deposit date: | 2021-02-04 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SusD protein from human gut uncultured Bacteroides To Be Published
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7BZ7
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![BU of 7bz7 by Molmil](/molmil-images/mine/7bz7) | Template lasso peptide C24 mutant F15Y | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | 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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7CU6
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![BU of 7cu6 by Molmil](/molmil-images/mine/7cu6) | lasso peptide C24 mutant - A11V2C | Descriptor: | lasso peptide C24_A11V2C | Authors: | Ma, M, Liu, X.H. | Deposit date: | 2020-08-21 | Release date: | 2021-08-25 | Last modified: | 2023-06-14 | 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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7BZ9
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![BU of 7bz9 by Molmil](/molmil-images/mine/7bz9) | Template lasso peptide C24 mutant I4A | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | 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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7BZA
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![BU of 7bza by Molmil](/molmil-images/mine/7bza) | Template lasso peptide C24 | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | 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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7BZ8
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![BU of 7bz8 by Molmil](/molmil-images/mine/7bz8) | Template lasso peptide C24 mutant V3A | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | 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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7F26
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![BU of 7f26 by Molmil](/molmil-images/mine/7f26) | Crystal structure of lysozyme | Descriptor: | Lysozyme C | Authors: | Liang, M. | Deposit date: | 2021-06-10 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel combined crystallization plate for high-throughput crystal screening and in situ data collection at a crystallography beamline. Acta Crystallogr.,Sect.F, 77, 2021
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7ETK
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7ETL
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![BU of 7etl by Molmil](/molmil-images/mine/7etl) | The crystal structure of FtmOx1-Y68F | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | Authors: | Zhou, J.H, Wu, L. | Deposit date: | 2021-05-13 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.992128 Å) | Cite: | Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1. Angew.Chem.Int.Ed.Engl., 61, 2022
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6UVQ
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![BU of 6uvq by Molmil](/molmil-images/mine/6uvq) | Crystal structure of Apo AtmM | Descriptor: | ACETATE ION, D-glucose O-methyltransferase, MAGNESIUM ION | Authors: | Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-11-04 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of Apo AtmM To Be Published
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6AOC
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![BU of 6aoc by Molmil](/molmil-images/mine/6aoc) | Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | Descriptor: | 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ... | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2017-08-15 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H. Eur J Med Chem, 141, 2017
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7F2B
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6BXF
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![BU of 6bxf by Molmil](/molmil-images/mine/6bxf) | Crystal structure of an extended b3 integrin L33 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | Authors: | Zhou, D, Zhu, J. | Deposit date: | 2017-12-18 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of an extended beta3integrin. Blood, 132, 2018
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7F2E
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![BU of 7f2e by Molmil](/molmil-images/mine/7f2e) | SARS-CoV-2 nucleocapsid protein C-terminal domain (dodecamer) | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Liu, C, Jiang, H. | Deposit date: | 2021-06-10 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of the SARS-CoV-2 nucleocapsid protein C-terminal domain and development of nucleocapsid-targeting nanobodies. Febs J., 289, 2022
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6CA4
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![BU of 6ca4 by Molmil](/molmil-images/mine/6ca4) | Crystal structure of humanized D. rerio TDP2 by 14 mutations | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Shi, K, Aihrara, H. | Deposit date: | 2018-01-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2). Eur J Pharm Sci, 118, 2018
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6BXB
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![BU of 6bxb by Molmil](/molmil-images/mine/6bxb) | Crystal structure of an extended b3 integrin P33 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | Authors: | Zhou, D, Zhu, J. | Deposit date: | 2017-12-18 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of an extended beta3integrin. Blood, 132, 2018
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7DRT
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![BU of 7drt by Molmil](/molmil-images/mine/7drt) | Human Wntless in complex with Wnt3a | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | Deposit date: | 2020-12-29 | Release date: | 2021-07-14 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structure of human Wntless in complex with Wnt3a. Nat Commun, 12, 2021
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6JIJ
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7XMW
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![BU of 7xmw by Molmil](/molmil-images/mine/7xmw) | Crystal structure of anti-CRISPR protein AcrVIA2 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AcrVIA2, SELENIUM ATOM, ... | Authors: | Yan, X, Li, X, Song, G. | Deposit date: | 2022-04-27 | Release date: | 2023-05-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of AcrVIA2 and its binding mechanism to CRISPR-Cas13a. Biochem.Biophys.Res.Commun., 612, 2022
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7XQV
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![BU of 7xqv by Molmil](/molmil-images/mine/7xqv) | The complex of nanobody Rh57 binding to GTP-bound RhoA active form | Descriptor: | ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Zhang, Y.R, Liu, R, Ding, Y. | Deposit date: | 2022-05-09 | Release date: | 2022-07-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural insights into the binding of nanobody Rh57 to active RhoA-GTP. Biochem.Biophys.Res.Commun., 616, 2022
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7YHD
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![BU of 7yhd by Molmil](/molmil-images/mine/7yhd) | Crystal structure of VIM-2 MBL in complex with 3-(4-(4-(2-aminoethoxy)phenyl)-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
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