8THD
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![BU of 8thd by Molmil](/molmil-images/mine/8thd) | Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to PCNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | Deposit date: | 2023-07-14 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structure of the PCNA unloader Elg1-RFC. Sci Adv, 10, 2024
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4Y84
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![BU of 4y84 by Molmil](/molmil-images/mine/4y84) | Yeast 20S proteasome in complex with N3-A(4,4-F2P)nLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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8FIB
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![BU of 8fib by Molmil](/molmil-images/mine/8fib) | Crystal Structure of Erwinia tracheiphila CYP114 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8THB
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![BU of 8thb by Molmil](/molmil-images/mine/8thb) | Structure of the Saccharomyces cerevisiae PCNA clamp unloader Elg1-RFC complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | Deposit date: | 2023-07-14 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the PCNA unloader Elg1-RFC. Sci Adv, 10, 2024
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5A4M
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![BU of 5a4m by Molmil](/molmil-images/mine/5a4m) | Mechanism of Hydrogen activation by NiFe-hydrogenases | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-06-10 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Hydrogen Activation by [Nife] Hydrogenases. Nat.Chem.Biol., 12, 2016
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3I3D
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![BU of 3i3d by Molmil](/molmil-images/mine/3i3d) | E. COLI (lacZ) BETA-GALACTOSIDASE (M542A) IN COMPLEX WITH IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E. | Deposit date: | 2009-06-30 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli). Biochem.Cell Biol., 88, 2010
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6VMD
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![BU of 6vmd by Molmil](/molmil-images/mine/6vmd) | Chloroplast ATP synthase (C1, CF1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-27 | Release date: | 2020-09-09 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (4.53 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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8FIK
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![BU of 8fik by Molmil](/molmil-images/mine/8fik) | APOBEC3A E72A inactive mutant in complex with ATTC-hairpin DNA substrate | Descriptor: | CHLORIDE ION, DNA (5'-D(P*CP*CP*CP*AP*TP*CP*AP*TP*TP*CP*GP*AP*TP*GP*GP*G)-3'), DNA dC->dU-editing enzyme APOBEC-3A, ... | Authors: | Harjes, S, Jameson, G.B, Harjes, E, Filichev, V.V, Kurup, H.M. | Deposit date: | 2022-12-16 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published
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6PS3
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![BU of 6ps3 by Molmil](/molmil-images/mine/6ps3) | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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5NHF
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![BU of 5nhf by Molmil](/molmil-images/mine/5nhf) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5A7A
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![BU of 5a7a by Molmil](/molmil-images/mine/5a7a) | Novel inter-subunit contacts in Barley Stripe Mosaic Virus revealed by cryo-EM | Descriptor: | BARLEY STRIPE MOSAIC VIRUS NARROW, RNA | Authors: | Clare, D.K, Pechnikova, E, Skurat, E, Makarov, V, Sokolova, O.S, Solovyev, A.G, V Orlova, E. | Deposit date: | 2015-07-03 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Novel Inter-Subunit Contacts in Barley Stripe Mosaic Virus Revealed by Cryo-Electron Microscopy. Structure, 23, 2015
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8FYU
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![BU of 8fyu by Molmil](/molmil-images/mine/8fyu) | Crystal structure of the human CHIP-TPR domain in complex with a 10mer acetylated tau peptide | Descriptor: | ACE-SER-SER-THR-GLY-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP | Authors: | Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S. | Deposit date: | 2023-01-26 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.84839141 Å) | Cite: | Phosphorylation of a Cleaved Tau Proteoform at a Single Residue Inhibits Binding to the E3 Ubiquitin Ligase, CHIP. Biorxiv, 2023
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8FLJ
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![BU of 8flj by Molmil](/molmil-images/mine/8flj) | Cas1-Cas2/3 integrase and IHF bound to CRISPR leader, repeat and foreign DNA | Descriptor: | CRISPR leader and repeat, anti-sense strand of DNA, CRISPR leader, ... | Authors: | Santiago-Frangos, A, Henriques, W.S, Wiegand, T, Gauvin, C, Buyukyoruk, M, Neselu, K, Eng, E.T, Lander, G.C, Wiedenheft, B. | Deposit date: | 2022-12-21 | Release date: | 2023-09-06 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structure reveals why genome folding is necessary for site-specific integration of foreign DNA into CRISPR arrays. Nat.Struct.Mol.Biol., 30, 2023
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8FOI
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![BU of 8foi by Molmil](/molmil-images/mine/8foi) | Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ... | Authors: | Sun, C, Gouaux, E. | Deposit date: | 2022-12-30 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology. Nature, 622, 2023
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6Q4B
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![BU of 6q4b by Molmil](/molmil-images/mine/6q4b) | CDK2 in complex with FragLite13 | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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8FIM
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![BU of 8fim by Molmil](/molmil-images/mine/8fim) | Structure of APOBEC3A (E72A inactive mutant) in complex with TTC-hairpin DNA substrate | Descriptor: | CHLORIDE ION, DNA (5'-D(*TP*GP*CP*GP*CP*TP*TP*CP*GP*CP*GP*CP*T)-3'), DNA dC->dU-editing enzyme APOBEC-3A, ... | Authors: | Harjes, S, Jameson, G.B, Harjes, E, Filichev, V.V, Kurup, H.M. | Deposit date: | 2022-12-16 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published
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5M1K
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![BU of 5m1k by Molmil](/molmil-images/mine/5m1k) | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Magnesium | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Phage terminase large subunit, ... | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | Deposit date: | 2016-10-09 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism. Nucleic Acids Res., 45, 2017
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8THC
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![BU of 8thc by Molmil](/molmil-images/mine/8thc) | Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to a cracked PCNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | Deposit date: | 2023-07-14 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structure of the PCNA unloader Elg1-RFC. Sci Adv, 10, 2024
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6PS6
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![BU of 6ps6 by Molmil](/molmil-images/mine/6ps6) | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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5M1P
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![BU of 5m1p by Molmil](/molmil-images/mine/5m1p) | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Calcium | Descriptor: | CALCIUM ION, Terminase large subunit | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | Deposit date: | 2016-10-09 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism. Nucleic Acids Res., 45, 2017
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8TYN
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![BU of 8tyn by Molmil](/molmil-images/mine/8tyn) | |
8TYM
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![BU of 8tym by Molmil](/molmil-images/mine/8tym) | |
6VLE
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![BU of 6vle by Molmil](/molmil-images/mine/6vle) | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 in its Apo-form | Descriptor: | Alpha-(1,6)-fucosyltransferase, SULFATE ION | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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5KC5
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![BU of 5kc5 by Molmil](/molmil-images/mine/5kc5) | Crystal structure of the Cbln1 C1q domain trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | Deposit date: | 2016-06-05 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes. Science, 353, 2016
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5D4I
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![BU of 5d4i by Molmil](/molmil-images/mine/5d4i) | Intact nitrite complex of a copper nitrite reductase determined by serial femtosecond crystallography | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-08-07 | Release date: | 2016-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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