6YAS
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![BU of 6yas by Molmil](/molmil-images/mine/6yas) | HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE | Descriptor: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | Deposit date: | 1999-03-15 | Release date: | 1999-10-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis. Protein Sci., 8, 1999
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2RS5
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![BU of 2rs5 by Molmil](/molmil-images/mine/2rs5) | STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES | Descriptor: | 5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Badger, J, Smith, T.J, Rossmann, M.G. | Deposit date: | 1988-10-03 | Release date: | 1990-01-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses. Proteins, 6, 1989
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2RR1
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![BU of 2rr1 by Molmil](/molmil-images/mine/2rr1) | STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES | Descriptor: | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Badger, J, Smith, T.J, Rossmann, M.G. | Deposit date: | 1988-10-03 | Release date: | 1990-01-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses. Proteins, 6, 1989
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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2RS1
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![BU of 2rs1 by Molmil](/molmil-images/mine/2rs1) | STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES | Descriptor: | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Badger, J, Smith, T.J, Rossmann, M.G. | Deposit date: | 1988-10-03 | Release date: | 1990-01-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses. Proteins, 6, 1989
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6Y7F
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![BU of 6y7f by Molmil](/molmil-images/mine/6y7f) | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) | Descriptor: | CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ... | Authors: | Nie, L, Pike, A.C.W, Bushell, S.R, Chu, A, Cole, V, Speedman, D, Rodstrom, K.E.J, Kupinska, K, Shrestha, L, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-28 | Release date: | 2020-05-13 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) TO BE PUBLISHED
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6YBT
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![BU of 6ybt by Molmil](/molmil-images/mine/6ybt) | Structure of a human 48S translational initiation complex - eIF3bgi | Descriptor: | Eukaryotic translation initiation factor 3 subunit A, Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit I | Authors: | Brito Querido, J, Sokabe, M, Kraatz, S, Gordiyenko, Y, Skehel, M, Fraser, C, Ramakrishnan, V. | Deposit date: | 2020-03-17 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Structure of a human 48Stranslational initiation complex. Science, 369, 2020
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7PS8
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![BU of 7ps8 by Molmil](/molmil-images/mine/7ps8) | NMR Structure of the U3 RNA G-quadruplex | Descriptor: | POTASSIUM ION, RNA (5'-R(*CP*AP*GP*GP*GP*AP*GP*GP*UP*GP*UP*GP*GP*CP*CP*UP*GP*GP*GP*CP*GP*GP*G)-3') | Authors: | Marquevielle, J, Amrane, S. | Deposit date: | 2021-09-22 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | NMR Structure of the U3 RNA G-quadruplex To Be Published
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7PVU
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![BU of 7pvu by Molmil](/molmil-images/mine/7pvu) | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | Descriptor: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2021-10-05 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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6Y33
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![BU of 6y33 by Molmil](/molmil-images/mine/6y33) | Streptavidin mutant S112R with a biotC5-1 cofactor - an artificial iron hydroxylase | Descriptor: | GLYCEROL, Streptavidin, biotC5-1 cofactor | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | Deposit date: | 2020-02-17 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
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7KXD
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![BU of 7kxd by Molmil](/molmil-images/mine/7kxd) | |
7QCQ
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![BU of 7qcq by Molmil](/molmil-images/mine/7qcq) | VHH Z70 in interaction with PHF6 Tau peptide | Descriptor: | GLYCEROL, Tau 301-312, VHH Z70 | Authors: | Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I. | Deposit date: | 2021-11-25 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment. Mol.Ther., 30, 2022
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2TPR
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![BU of 2tpr by Molmil](/molmil-images/mine/2tpr) | |
2TPI
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![BU of 2tpi by Molmil](/molmil-images/mine/2tpi) | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | ISOLEUCINE, MERCURY (II) ION, TRYPSIN INHIBITOR, ... | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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7QG7
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![BU of 7qg7 by Molmil](/molmil-images/mine/7qg7) | SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | Authors: | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | Deposit date: | 2021-12-07 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
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7YLM
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![BU of 7ylm by Molmil](/molmil-images/mine/7ylm) | Cryo-EM structure of 8-subunit Smc5/6 hinge region | Descriptor: | MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5 | Authors: | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | Deposit date: | 2022-07-26 | Release date: | 2024-01-31 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.17 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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7YQH
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![BU of 7yqh by Molmil](/molmil-images/mine/7yqh) | Cryo-EM structure of 8-subunit Smc5/6 | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | Deposit date: | 2022-08-07 | Release date: | 2024-01-31 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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6Y2M
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![BU of 6y2m by Molmil](/molmil-images/mine/6y2m) | Streptavidin mutant S112R with a biotC4-1 cofactor - an artificial iron hydroxylase | Descriptor: | Streptavidin, biotC4-1 cofactor | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | Deposit date: | 2020-02-17 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
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3AGL
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![BU of 3agl by Molmil](/molmil-images/mine/3agl) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039 | Descriptor: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-04-02 | Release date: | 2010-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J.Mol.Biol., 403, 2010
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6Y2T
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![BU of 6y2t by Molmil](/molmil-images/mine/6y2t) | Streptavidin wildtype with a biotC4-1 cofactor - an artificial iron hydroxylase | Descriptor: | GLYCEROL, Streptavidin, biotC4-1 cofactor | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | Deposit date: | 2020-02-17 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
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7KIA
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![BU of 7kia by Molmil](/molmil-images/mine/7kia) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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7QU1
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![BU of 7qu1 by Molmil](/molmil-images/mine/7qu1) | Machupo virus GP1 glycoprotein in complex with Fab fragment of antibody MAC1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab MAC1 heavy chain, Fab MAC1 light chain, ... | Authors: | Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies. Mbio, 13, 2022
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7KIE
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![BU of 7kie by Molmil](/molmil-images/mine/7kie) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | Descriptor: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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6Y3Q
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![BU of 6y3q by Molmil](/molmil-images/mine/6y3q) | Streptavidin mutant S112R_K121E with a biotC5-1 cofactor - an artificial iron hydroxylase | Descriptor: | SULFATE ION, Streptavidin, biotC5-1 cofactor | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | Deposit date: | 2020-02-18 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
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7QU2
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![BU of 7qu2 by Molmil](/molmil-images/mine/7qu2) | Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab JUN1 heavy chain, ... | Authors: | Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies. Mbio, 13, 2022
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