4CDQ
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![BU of 4cdq by Molmil](/molmil-images/mine/4cdq) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-05 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CEW
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![BU of 4cew by Molmil](/molmil-images/mine/4cew) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | Descriptor: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules. Nat.Struct.Mol.Biol., 21, 2014
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6Z71
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![BU of 6z71 by Molmil](/molmil-images/mine/6z71) | Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2020-05-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proc.Natl.Acad.Sci.USA, 118, 2021
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6Z70
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![BU of 6z70 by Molmil](/molmil-images/mine/6z70) | Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2020-05-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proc.Natl.Acad.Sci.USA, 118, 2021
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6IFZ
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![BU of 6ifz by Molmil](/molmil-images/mine/6ifz) | Type III-A Csm complex, Cryo-EM structure of Csm-CTR2-ssDNA complex | Descriptor: | CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFU
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![BU of 6ifu by Molmil](/molmil-images/mine/6ifu) | Cryo-EM structure of type III-A Csm-CTR2-dsDNA complex | Descriptor: | CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFR
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![BU of 6ifr by Molmil](/molmil-images/mine/6ifr) | Type III-A Csm complex, Cryo-EM structure of Csm-NTR, ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Type III-A CRISPR-associated RAMP protein Csm3, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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8H0Z
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![BU of 8h0z by Molmil](/molmil-images/mine/8h0z) | Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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3J9B
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![BU of 3j9b by Molmil](/molmil-images/mine/3j9b) | Electron cryo-microscopy of an RNA polymerase | Descriptor: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | Authors: | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | Deposit date: | 2014-12-16 | Release date: | 2015-02-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution. Mol.Cell, 2015
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4CSU
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![BU of 4csu by Molmil](/molmil-images/mine/4csu) | Cryo-EM structures of the 50S ribosome subunit bound with ObgE | Descriptor: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L11, ... | Authors: | Feng, B, Mandava, C.S, Guo, Q, Wang, J, Cao, W, Li, N, Zhang, Y, Zhang, Y, Wang, Z, Wu, J, Sanyal, S, Lei, J, Gao, N. | Deposit date: | 2014-03-10 | Release date: | 2014-06-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural and Functional Insights Into the Mode of Action of a Universally Conserved Obg Gtpase. Plos Biol., 12, 2014
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5IAY
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![BU of 5iay by Molmil](/molmil-images/mine/5iay) | NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Spacer | Authors: | Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y. | Deposit date: | 2016-02-22 | Release date: | 2016-04-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition Nat Commun, 7, 2016
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6IFN
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![BU of 6ifn by Molmil](/molmil-images/mine/6ifn) | Crystal structure of Type III-A CRISPR Csm complex | Descriptor: | MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ... | Authors: | You, L, Wang, J, Wang, Y. | Deposit date: | 2018-09-20 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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7WKH
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![BU of 7wkh by Molmil](/molmil-images/mine/7wkh) | the grass carp IFNa | Descriptor: | Interferon | Authors: | Zou, J, WANG, J, Wang, Z. | Deposit date: | 2022-01-09 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish. Front Immunol, 13, 2022
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6WGK
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![BU of 6wgk by Molmil](/molmil-images/mine/6wgk) | Fab portion of dupilumab with Crystal Kappa design and intrachain disulfide | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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6WGL
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![BU of 6wgl by Molmil](/molmil-images/mine/6wgl) | Dupilumab fab with Crystal Kappa design complexed with human IL-4 receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dupilumab Fab heavy chain, ... | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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6WGB
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![BU of 6wgb by Molmil](/molmil-images/mine/6wgb) | Crystal structure of the fab portion of dupilumab | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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6WG8
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![BU of 6wg8 by Molmil](/molmil-images/mine/6wg8) | Fab portion of dupilumab with Crystal Kappa design | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain, GLYCEROL | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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6WGJ
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![BU of 6wgj by Molmil](/molmil-images/mine/6wgj) | Fab portion of dupilumab with Crystal Kappa design and no interchain disulfide | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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6WTT
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![BU of 6wtt by Molmil](/molmil-images/mine/6wtt) | Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | Deposit date: | 2020-05-03 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res., 30, 2020
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3HVT
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![BU of 3hvt by Molmil](/molmil-images/mine/3hvt) | STRUCTURAL BASIS OF ASYMMETRY IN THE HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE HETERODIMER | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | Authors: | Steitz, T.A, Smerdon, S.J, Jaeger, J, Wang, J, Kohlstaedt, L.A, Chirino, A.J, Friedman, J.M, Rice, P.A. | Deposit date: | 1994-07-25 | Release date: | 1994-10-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the binding site for nonnucleoside inhibitors of the reverse transcriptase of human immunodeficiency virus type 1. Proc.Natl.Acad.Sci.Usa, 91, 1994
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8HNV
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![BU of 8hnv by Molmil](/molmil-images/mine/8hnv) | CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4 | Descriptor: | CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ... | Authors: | Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
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2VSW
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![BU of 2vsw by Molmil](/molmil-images/mine/2vsw) | The structure of the rhodanese domain of the human dual specificity phosphatase 16 | Descriptor: | DUAL SPECIFICITY PROTEIN PHOSPHATASE 16 | Authors: | Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S. | Deposit date: | 2008-04-30 | Release date: | 2008-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16 To be Published
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2Y7B
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![BU of 2y7b by Molmil](/molmil-images/mine/2y7b) | Crystal structure of the PH domain of human Actin-binding protein anillin ANLN | Descriptor: | 1,2-ETHANEDIOL, ACTIN-BINDING PROTEIN ANILLIN | Authors: | Vollmar, M, Wang, J, Krojer, T, Elkins, J, Filippakopoulos, P, Ugochukwu, E, Cocking, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Ph Domain of Human Actin-Binding Protein Anillin Anln To be Published
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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8H13
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![BU of 8h13 by Molmil](/molmil-images/mine/8h13) | Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-10-19 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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