5RGQ
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![BU of 5rgq by Molmil](/molmil-images/mine/5rgq) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) | Descriptor: | 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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8Q4D
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![BU of 8q4d by Molmil](/molmil-images/mine/8q4d) | IstA-IstB(E167Q) Strand Transfer Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (118-MER) / TIR-transferred strand, ... | Authors: | de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E. | Deposit date: | 2023-08-06 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Molecular basis for transposase activation by a dedicated AAA+ ATPase. Nature, 630, 2024
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2R6G
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![BU of 2r6g by Molmil](/molmil-images/mine/2r6g) | The Crystal Structure of the E. coli Maltose Transporter | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Maltose transport system permease protein malF, Maltose transport system permease protein malG, ... | Authors: | Oldham, M.L, Khare, D, Quiocho, F.A, Davidson, A.L, Chen, J. | Deposit date: | 2007-09-05 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a catalytic intermediate of the maltose transporter. Nature, 450, 2007
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4TV5
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![BU of 4tv5 by Molmil](/molmil-images/mine/4tv5) | |
6I08
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![BU of 6i08 by Molmil](/molmil-images/mine/6i08) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT E243C-I201W | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-25 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4D5H
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![BU of 4d5h by Molmil](/molmil-images/mine/4d5h) | Focal Adhesion Kinase catalytic domain | Descriptor: | 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one, FOCAL ADHESION KINASE 1, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-11-05 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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4D4S
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![BU of 4d4s by Molmil](/molmil-images/mine/4d4s) | Focal Adhesion Kinase catalytic domain | Descriptor: | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, ... | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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6HY9
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![BU of 6hy9 by Molmil](/molmil-images/mine/6hy9) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Q193M | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-19 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4D5K
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![BU of 4d5k by Molmil](/molmil-images/mine/4d5k) | Focal Adhesion Kinase catalytic domain | Descriptor: | DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-11-05 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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7MEZ
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![BU of 7mez by Molmil](/molmil-images/mine/7mez) | Structure of the phosphoinositide 3-kinase p110 gamma (PIK3CG) p101 (PIK3R5) complex | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 5 | Authors: | Burke, J.E, Dalwadi, U, Rathinaswamy, M.K, Yip, C.K. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure of the phosphoinositide 3-kinase (PI3K) p110 gamma-p101 complex reveals molecular mechanism of GPCR activation. Sci Adv, 7, 2021
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4D4R
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![BU of 4d4r by Molmil](/molmil-images/mine/4d4r) | Focal Adhesion Kinase catalytic domain | Descriptor: | FOCAL ADHESION KINASE 1, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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8JWD
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![BU of 8jwd by Molmil](/molmil-images/mine/8jwd) | Histidine kinase QseE sensor domain of Escherichia coli O157:H7 | Descriptor: | 1,2-ETHANEDIOL, histidine kinase | Authors: | Matsumoto, K, Fukuda, Y, Inoue, T. | Deposit date: | 2023-06-28 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal structures of QseE and QseG: elements of a three-component system from Escherichia coli. Acta Crystallogr.,Sect.F, 79, 2023
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6I4Q
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![BU of 6i4q by Molmil](/molmil-images/mine/6i4q) | Crystal structure of the human dihydrolipoamide dehydrogenase at 1.75 Angstrom resolution | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | Authors: | Nagy, B, Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2018-11-10 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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5REB
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![BU of 5reb by Molmil](/molmil-images/mine/5reb) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899 | Descriptor: | 1-[(thiophen-3-yl)methyl]piperidin-4-ol, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4U8H
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![BU of 4u8h by Molmil](/molmil-images/mine/4u8h) | Crystal Structure of Mammalian Period-Cryptochrome Complex | Descriptor: | Cryptochrome-2, Period circadian protein homolog 2, ZINC ION | Authors: | Nangle, S.N, Rosensweig, C, Koike, N, Tei, H, Takahashi, J.S, Green, C.B, Zheng, N. | Deposit date: | 2014-08-03 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Molecular assembly of the period-cryptochrome circadian transcriptional repressor complex. Elife, 3, 2014
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5RGO
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![BU of 5rgo by Molmil](/molmil-images/mine/5rgo) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248 (Mpro-x0736) | Descriptor: | 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4U2N
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![BU of 4u2n by Molmil](/molmil-images/mine/4u2n) | |
4KQ8
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![BU of 4kq8 by Molmil](/molmil-images/mine/4kq8) | Structure of Recombinant Human Cytochrome P450 Aromatase | Descriptor: | 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ... | Authors: | Ghosh, D, Di Nardo, G, Griswold, J. | Deposit date: | 2013-05-14 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase. Biochemistry, 52, 2013
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7MWD
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![BU of 7mwd by Molmil](/molmil-images/mine/7mwd) | HUWE1 in map with focus on HECT | Descriptor: | E3 ubiquitin-protein ligase HUWE1 | Authors: | Hunkeler, M, Fischer, E.S. | Deposit date: | 2021-05-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition. Mol.Cell, 81, 2021
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5RF2
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![BU of 5rf2 by Molmil](/molmil-images/mine/5rf2) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146 | Descriptor: | 1-azanylpropylideneazanium, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFG
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![BU of 5rfg by Molmil](/molmil-images/mine/5rfg) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFU
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![BU of 5rfu by Molmil](/molmil-images/mine/5rfu) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121 | Descriptor: | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RHF
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![BU of 5rhf by Molmil](/molmil-images/mine/5rhf) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754) | Descriptor: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-05-16 | Release date: | 2020-06-10 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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7MWE
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![BU of 7mwe by Molmil](/molmil-images/mine/7mwe) | HUWE1 in map with focus on WWE | Descriptor: | E3 ubiquitin-protein ligase HUWE1 | Authors: | Hunkeler, M, Fischer, E.S. | Deposit date: | 2021-05-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition. Mol.Cell, 81, 2021
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1I1D
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![BU of 1i1d by Molmil](/molmil-images/mine/1i1d) | CRYSTAL STRUCTURE OF YEAST GNA1 BOUND TO COA AND GLNAC-6P | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, GLUCOSAMINE-PHOSPHATE N-ACETYLTRANSFERASE, ... | Authors: | Peneff, C, Mengin-Lecreulx, D, Bourne, Y. | Deposit date: | 2001-02-01 | Release date: | 2001-05-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of Apo and complexed Saccharomyces cerevisiae GNA1 shed light on the catalytic mechanism of an amino-sugar N-acetyltransferase. J.Biol.Chem., 276, 2001
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