7L5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l5l by Molmil](/molmil-images/mine/7l5l) | |
7L5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l5k by Molmil](/molmil-images/mine/7l5k) | Crystal structure of the DiB-RM protein | Descriptor: | DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ... | Authors: | Bozhanova, N.G, Harp, J.M, Meiler, J. | Deposit date: | 2020-12-22 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Computational redesign of a fluorogen activating protein with Rosetta. Plos Comput.Biol., 17, 2021
|
|
4YP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yp3 by Molmil](/molmil-images/mine/4yp3) | Mutant Human DNA Polymerase Eta Q38A/R61A Inserting dCTP Opposite an 8-Oxoguanine Lesion | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P. | Deposit date: | 2015-03-12 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine. J.Biol.Chem., 290, 2015
|
|
7F1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f1d by Molmil](/molmil-images/mine/7f1d) | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2021-06-09 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
|
|
7F1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f1g by Molmil](/molmil-images/mine/7f1g) | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2021-06-09 | Release date: | 2022-02-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
|
|
4YUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yup by Molmil](/molmil-images/mine/4yup) | Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
|
|
6Q01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q01 by Molmil](/molmil-images/mine/6q01) | TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 2 | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Krahn, J.M, Williams, R.S. | Deposit date: | 2019-08-01 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (0.851 Å) | Cite: | Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2. Nucleic Acids Res., 48, 2020
|
|
4YR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yr0 by Molmil](/molmil-images/mine/4yr0) | Mutant Human DNA Polymerase Eta R61M Inserting dCTP Opposite an 8-Oxoguanine Lesion | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P. | Deposit date: | 2015-03-13 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine. J.Biol.Chem., 290, 2015
|
|
7KQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kqv by Molmil](/molmil-images/mine/7kqv) | |
6QBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qbn by Molmil](/molmil-images/mine/6qbn) | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200D | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Carivenc, C, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A To Be Published
|
|
4YUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yug by Molmil](/molmil-images/mine/4yug) | Multiconformer synchrotron model of CypA at 100 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
|
|
4YUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yul by Molmil](/molmil-images/mine/4yul) | Multiconformer synchrotron model of CypA at 280 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
|
|
7ETS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ets by Molmil](/molmil-images/mine/7ets) | Crystal structure of crp protein from Gardnerella Vaginalis | Descriptor: | Crp/Fnr family transcriptional regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dong, H.J, Wang, S, Zhang, J.M, Gu, L. | Deposit date: | 2021-05-13 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of crp protein from Gardnerella Vaginalis To Be Published
|
|
8DYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dyv by Molmil](/molmil-images/mine/8dyv) | Structure of human cytoplasmic dynein-1 bound to one Lis1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | Authors: | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | Deposit date: | 2022-08-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1. Elife, 12, 2023
|
|
6Q1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q1b by Molmil](/molmil-images/mine/6q1b) | |
8DYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dyu by Molmil](/molmil-images/mine/8dyu) | Structure of human cytoplasmic dynein-1 bound to two Lis1 proteins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | Authors: | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | Deposit date: | 2022-08-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1. Elife, 12, 2023
|
|
4ZRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zrm by Molmil](/molmil-images/mine/4zrm) | |
6QB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qb8 by Molmil](/molmil-images/mine/6qb8) | Human CCT:mLST8 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | Authors: | Cuellar, J, Santiago, C, Ludlam, W.G, Bueno-Carrasco, M.T, Valpuesta, J.M, Willardson, B.M. | Deposit date: | 2018-12-20 | Release date: | 2019-07-03 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Structural and functional analysis of the role of the chaperonin CCT in mTOR complex assembly. Nat Commun, 10, 2019
|
|
7QDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qdh by Molmil](/molmil-images/mine/7qdh) | SARS-CoV-2 S protein S:D614G mutant 1-up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | Deposit date: | 2021-11-27 | Release date: | 2022-05-25 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation. Plos Pathog., 18, 2022
|
|
7KRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7krg by Molmil](/molmil-images/mine/7krg) | |
5KTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ktx by Molmil](/molmil-images/mine/5ktx) | CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | Authors: | Murray, J.M, Noland, C. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
|
|
7QDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qdg by Molmil](/molmil-images/mine/7qdg) | SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | Deposit date: | 2021-11-27 | Release date: | 2022-05-25 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation. Plos Pathog., 18, 2022
|
|
6PZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pz0 by Molmil](/molmil-images/mine/6pz0) | Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and L-Tyrosine | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, TYROSINE, ... | Authors: | Sun, Z, Kavran, J.M, Rokita, S.E. | Deposit date: | 2019-07-31 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana. J.Biol.Chem., 297, 2021
|
|
7KVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kvd by Molmil](/molmil-images/mine/7kvd) | Cryo-EM structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (dodecamer) | Descriptor: | p9-1 | Authors: | Llauger, G, Melero, R, Monti, D, Sycz, G, Huck-Iriart, C, Cerutti, M.L, Klinke, S, Arranz, R, Carazo, J.M, Goldbaum, F.A, del Vas, M, Otero, L.H. | Deposit date: | 2020-11-27 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | A Fijivirus Major Viroplasm Protein Shows RNA-Stimulated ATPase Activity by Adopting Pentameric and Hexameric Assemblies of Dimers. Mbio, 14, 2023
|
|
7KVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kvc by Molmil](/molmil-images/mine/7kvc) | Cryo-EM structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (decamer) | Descriptor: | p9-1 | Authors: | Llauger, G, Melero, R, Monti, D, Sycz, G, Huck-Iriart, C, Cerutti, M.L, Klinke, S, Arranz, R, Carazo, J.M, Goldbaum, F.A, del Vas, M, Otero, L.H. | Deposit date: | 2020-11-27 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | A Fijivirus Major Viroplasm Protein Shows RNA-Stimulated ATPase Activity by Adopting Pentameric and Hexameric Assemblies of Dimers. Mbio, 14, 2023
|
|