7AJR
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![BU of 7ajr by Molmil](/molmil-images/mine/7ajr) | Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors | Descriptor: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ... | Authors: | Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M. | Deposit date: | 2020-09-29 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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8F6J
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6XLE
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![BU of 6xle by Molmil](/molmil-images/mine/6xle) | Full-length Hsc82 in complex with two Aha1 CTD in the presence of AMP-PNP | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1 To Be Published
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4XT3
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![BU of 4xt3 by Molmil](/molmil-images/mine/4xt3) | Structure of a viral GPCR bound to human chemokine CX3CL1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fractalkine, G-protein coupled receptor homolog US28, ... | Authors: | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | Deposit date: | 2015-01-22 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.801 Å) | Cite: | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor. Science, 347, 2015
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6XLF
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![BU of 6xlf by Molmil](/molmil-images/mine/6xlf) | Full-length Hsc82 in complex with Aha1 in the presence of AMP-PNP | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1 To Be Published
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6USZ
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![BU of 6usz by Molmil](/molmil-images/mine/6usz) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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7S9Q
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![BU of 7s9q by Molmil](/molmil-images/mine/7s9q) | Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dATP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | Authors: | Freudenthal, B.D, Ryan, B.J, Smith, M.R. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication. J.Am.Chem.Soc., 144, 2022
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6XL4
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![BU of 6xl4 by Molmil](/molmil-images/mine/6xl4) | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Beyett, T.S, Eck, M.J. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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8F6F
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6XLG
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![BU of 6xlg by Molmil](/molmil-images/mine/6xlg) | Full-length Hsc82 in complex with two Aha1 CTD in the presence of ATPgammaS | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1 To Be Published
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8F6I
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6XLH
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![BU of 6xlh by Molmil](/molmil-images/mine/6xlh) | Asymmetric hydrolysis state of Hsc82 in complex with Aha1 bound with ADP and ATPgammaS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, ... | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1 To Be Published
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7AM6
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5JM4
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![BU of 5jm4 by Molmil](/molmil-images/mine/5jm4) | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | Deposit date: | 2016-04-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. J. Med. Chem., 60, 2017
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7Z3Z
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![BU of 7z3z by Molmil](/molmil-images/mine/7z3z) | Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STEARIC ACID, ... | Authors: | Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E. | Deposit date: | 2022-03-03 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer bioRxiv, 2020
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7S9O
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6MNX
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5MQW
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![BU of 5mqw by Molmil](/molmil-images/mine/5mqw) | High-speed fixed-target serial virus crystallography | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | Deposit date: | 2016-12-21 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-speed fixed-target serial virus crystallography. Nat. Methods, 14, 2017
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8T6S
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![BU of 8t6s by Molmil](/molmil-images/mine/8t6s) | SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 10 bp R-loop | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | Authors: | Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2023-06-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9. Nat Commun, 15, 2024
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8F94
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8T6T
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![BU of 8t6t by Molmil](/molmil-images/mine/8t6t) | SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 13 bp R-loop | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | Authors: | Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2023-06-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9. Nat Commun, 15, 2024
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7B24
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7NA8
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![BU of 7na8 by Molmil](/molmil-images/mine/7na8) | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | Descriptor: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine], Antibody fragment, CHOLESTEROL, ... | Authors: | Liu, H, Sun, D, Sun, J, Zhang, C. | Deposit date: | 2021-06-20 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren Nat Commun, 12, 2021
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8T6Y
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![BU of 8t6y by Molmil](/molmil-images/mine/8t6y) | SpRY-Cas9:gRNA complex bound to non-target DNA with 1 bp R-loop | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | Authors: | Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2023-06-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9. Nat Commun, 15, 2024
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7B1Y
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