4BZB
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![BU of 4bzb by Molmil](/molmil-images/mine/4bzb) | Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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8KCM
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![BU of 8kcm by Molmil](/molmil-images/mine/8kcm) | MmCPDII-DNA complex containing low-dosage, light induced repaired DNA. | Descriptor: | Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2023-08-08 | Release date: | 2023-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution. Science, 382, 2023
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8OFA
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![BU of 8ofa by Molmil](/molmil-images/mine/8ofa) | Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-03-14 | Release date: | 2023-11-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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7MMD
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6XFI
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![BU of 6xfi by Molmil](/molmil-images/mine/6xfi) | Crystal Structures of beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2): Structural Basis for Inherited Muscular Dystrophies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ... | Authors: | Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N. | Deposit date: | 2020-06-15 | Release date: | 2021-04-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies. Acta Crystallogr D Struct Biol, 77, 2021
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6XI2
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![BU of 6xi2 by Molmil](/molmil-images/mine/6xi2) | Apo form of POMGNT2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ALA-GLY-ALA-GLY-ALA-ALA-ALA-ALA-ALA-ALA, ... | Authors: | Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N. | Deposit date: | 2020-06-19 | Release date: | 2021-04-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies. Acta Crystallogr D Struct Biol, 77, 2021
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6EPN
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![BU of 6epn by Molmil](/molmil-images/mine/6epn) | Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2 | Descriptor: | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-10-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6HUE
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![BU of 6hue by Molmil](/molmil-images/mine/6hue) | ParkinS65N | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K. | Deposit date: | 2018-10-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Phosphorylation of Parkin at serine 65 is essential for its activation in vivo . Open Biology, 8, 2018
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7MWH
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![BU of 7mwh by Molmil](/molmil-images/mine/7mwh) | Crystal structure of BAZ2A with DNA | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-05-17 | Release date: | 2022-08-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of the BAZ2B TAM domain. Heliyon, 8, 2022
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7DEA
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![BU of 7dea by Molmil](/molmil-images/mine/7dea) | Structure of an avian influenza H5 hemagglutinin from the influenza virus A/duck Northern China/22/2017 (H5N6) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Sun, H, Sun, H, Song, J, Zhang, W, Wei, X, Qi, J, Gao, G.F, Liu, J. | Deposit date: | 2020-11-03 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Haemagglutinin and neuraminidase acid stability in H5N6 avian influenza virus confers infection adaptation in mammals To Be Published
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7DEB
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![BU of 7deb by Molmil](/molmil-images/mine/7deb) | Structure of an avian influenza H5 hemagglutinin from the influenza virus A/duck/Eastern China/L0230/2010 (H5N2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Sun, H, Sun, H, Song, J, Zhang, W, Qi, J, Gao, G.F, Liu, J. | Deposit date: | 2020-11-03 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Haemagglutinin and neuraminidase acid stability in H5N6 avian influenza virus confers infection adaptation in mammals To Be Published
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6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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7XIM
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7LDE
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![BU of 7lde by Molmil](/molmil-images/mine/7lde) | native AMPA receptor | Descriptor: | 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ... | Authors: | Yu, J, Rao, P, Gouaux, E. | Deposit date: | 2021-01-13 | Release date: | 2021-05-12 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition. Nature, 594, 2021
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7LDD
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![BU of 7ldd by Molmil](/molmil-images/mine/7ldd) | native AMPA receptor | Descriptor: | 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ... | Authors: | Yu, J, Rao, P, Gouaux, E. | Deposit date: | 2021-01-13 | Release date: | 2021-05-12 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition. Nature, 594, 2021
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7LEP
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![BU of 7lep by Molmil](/molmil-images/mine/7lep) | The composite LBD-TMD structure combined from all hippocampal AMPAR subtypes at 3.25 Angstrom resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol, DECANE, ... | Authors: | Yu, J, Rao, P, Gouaux, E. | Deposit date: | 2021-01-14 | Release date: | 2021-05-12 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition. Nature, 594, 2021
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6UIZ
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![BU of 6uiz by Molmil](/molmil-images/mine/6uiz) | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | Deposit date: | 2019-10-01 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
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6GLY
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![BU of 6gly by Molmil](/molmil-images/mine/6gly) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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6RUL
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![BU of 6rul by Molmil](/molmil-images/mine/6rul) | Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH | Descriptor: | GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIETHYLENE GLYCOL, ... | Authors: | Farrants, H, Tarnawski, M, Mueller, T.G, Otsuka, S, Hiblot, J, Koch, B, Kueblbeck, M, Kraeusslich, H.-G, Ellenberg, J, Johnsson, K. | Deposit date: | 2019-05-28 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chemogenetic Control of Nanobodies. Nat.Methods, 17, 2020
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6H26
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![BU of 6h26 by Molmil](/molmil-images/mine/6h26) | Rabbit muscle phosphoglycerate mutase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Phosphoglycerate mutase | Authors: | Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D. | Deposit date: | 2018-07-13 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.288 Å) | Cite: | Rabbit muscle phosphoglycerate mutase To Be Published
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8I29
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![BU of 8i29 by Molmil](/molmil-images/mine/8i29) | Crystal structure of butanol dehydrogenase A (YqdH) in complex with NADH from Fusobacterium nucleatum | Descriptor: | CHLORIDE ION, COBALT (II) ION, NADH-dependent butanol dehydrogenase A, ... | Authors: | Bai, X, Lan, J, Bu, T.T, Wang, L.L, He, S.R, Zhang, J, Xu, Y.B. | Deposit date: | 2023-01-14 | Release date: | 2023-02-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure of butanol dehydrogenase A (YqdH) in complex with NADH from Fusobacterium nucleatum To Be Published
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6GP5
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![BU of 6gp5 by Molmil](/molmil-images/mine/6gp5) | Beta-1,4-galactanase from Bacteroides thetaiotaomicron | Descriptor: | Arabinogalactan endo-beta-1,4-galactanase | Authors: | Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L. | Deposit date: | 2018-06-05 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides. J. Struct. Biol., 205, 2019
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6RZP
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![BU of 6rzp by Molmil](/molmil-images/mine/6rzp) | Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. | Deposit date: | 2019-06-13 | Release date: | 2019-07-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi Iucrj, 2023
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6S16
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![BU of 6s16 by Molmil](/molmil-images/mine/6s16) | T. thermophilus RuvC in complex with Holliday junction substrate | Descriptor: | CHLORIDE ION, Crossover junction endodeoxyribonuclease RuvC, DNA (33-MER), ... | Authors: | Gorecka, K.M, Krepl, M, Szlachcic, A, Poznanski, J, Sponer, J, Nowotny, M. | Deposit date: | 2019-06-18 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | RuvC uses dynamic probing of the Holliday junction to achieve sequence specificity and efficient resolution. Nat Commun, 10, 2019
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6UI0
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![BU of 6ui0 by Molmil](/molmil-images/mine/6ui0) | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | Deposit date: | 2019-09-29 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
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