4UCR
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![BU of 4ucr by Molmil](/molmil-images/mine/4ucr) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UTQ
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![BU of 4utq by Molmil](/molmil-images/mine/4utq) | A structural model of the active ribosome-bound membrane protein insertase YidC | Descriptor: | ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC | Authors: | Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R. | Deposit date: | 2014-07-22 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc. Elife, 3, 2014
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4USE
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![BU of 4use by Molmil](/molmil-images/mine/4use) | Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4V6Q
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![BU of 4v6q by Molmil](/molmil-images/mine/4v6q) | Structural characterization of mRNA-tRNA translocation intermediates (class 5 of the six classes) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-12-08 | Release date: | 2014-07-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Structural characterization of mRNA-tRNA translocation intermediates. Proc.Natl.Acad.Sci.USA, 109, 2012
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4UQQ
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![BU of 4uqq by Molmil](/molmil-images/mine/4uqq) | Electron density map of GluK2 desensitized state in complex with 2S,4R-4-methylglutamate | Descriptor: | GLUTAMATE RECEPTOR IONOTROPIC, KAINATE 2, GLUTAMIC ACID | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | Deposit date: | 2014-06-24 | Release date: | 2014-08-13 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization Nature, 514, 2014
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4UQJ
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![BU of 4uqj by Molmil](/molmil-images/mine/4uqj) | Cryo-EM density map of GluA2em in complex with ZK200775 | Descriptor: | GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | Deposit date: | 2014-06-24 | Release date: | 2014-08-13 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization Nature, 514, 2014
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4V25
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![BU of 4v25 by Molmil](/molmil-images/mine/4v25) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4UV4
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![BU of 4uv4 by Molmil](/molmil-images/mine/4uv4) | Crystal structure of anti-FPR Fpro0165 Fab fragment | Descriptor: | FPRO0165 FAB | Authors: | Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J. | Deposit date: | 2014-08-04 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1. Mabs, 7, 2015
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4V26
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![BU of 4v26 by Molmil](/molmil-images/mine/4v26) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4V6N
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![BU of 4v6n by Molmil](/molmil-images/mine/4v6n) | Structural characterization of mRNA-tRNA translocation intermediates (50S ribosome of class2 of the six classes) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-12-07 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (12.1 Å) | Cite: | Structural characterization of mRNA-tRNA translocation intermediates. Proc.Natl.Acad.Sci.USA, 109, 2012
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4V6R
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![BU of 4v6r by Molmil](/molmil-images/mine/4v6r) | Structural characterization of mRNA-tRNA translocation intermediates (class 6 of the six classes) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-12-08 | Release date: | 2014-07-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Structural characterization of mRNA-tRNA translocation intermediates. Proc.Natl.Acad.Sci.USA, 109, 2012
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2FV7
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![BU of 2fv7 by Molmil](/molmil-images/mine/2fv7) | Crystal structure of human ribokinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-30 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human ribokinase to be published
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2FZA
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![BU of 2fza by Molmil](/molmil-images/mine/2fza) | Crystal structure of d(GCGGGAGC): the base-intercalated duplex | Descriptor: | 5'-D(*GP*(CBR)P*GP*GP*GP*AP*GP*C)-3', CALCIUM ION, SODIUM ION | Authors: | Kondo, J, Ciengshin, T, Juan, E.C.M, Mitomi, K, Takenaka, A. | Deposit date: | 2006-02-09 | Release date: | 2007-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal structure of d(gcGXGAgc) with X=G: a mutation at X is possible to occur in a base-intercalated duplex for multiplex formation Nucleosides Nucleotides Nucleic Acids, 25, 2006
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2FS1
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![BU of 2fs1 by Molmil](/molmil-images/mine/2fs1) | solution structure of PSD-1 | Descriptor: | PSD-1 | Authors: | He, Y, Rozak, D.A, Sari, N, Chen, Y, Bryan, P, Orban, J. | Deposit date: | 2006-01-20 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure, dynamics, and stability variation in bacterial albumin binding modules: implications for species specificity. Biochemistry, 45, 2006
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5KH9
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![BU of 5kh9 by Molmil](/molmil-images/mine/5kh9) | Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ... | Authors: | Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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5KH7
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![BU of 5kh7 by Molmil](/molmil-images/mine/5kh7) | Crystal structure of fragment (3-[6-Oxo-3-(3-pyridinyl)-1(6H)-pyridazinyl]propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Walker, J, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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7XVH
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![BU of 7xvh by Molmil](/molmil-images/mine/7xvh) | Crystal structure of AtHPPD-Y13287 complex | Descriptor: | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | Deposit date: | 2022-05-23 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design. J.Agric.Food Chem., 71, 2023
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5KO0
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![BU of 5ko0 by Molmil](/molmil-images/mine/5ko0) | Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED | Descriptor: | THIOCYANATE ION, hIAPP(15-25)WT | Authors: | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | Deposit date: | 2016-06-28 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | Cite: | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity. Elife, 6, 2017
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2GFT
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![BU of 2gft by Molmil](/molmil-images/mine/2gft) | Crystal structure of the E263A nucleophile mutant of Bacillus licheniformis endo-beta-1,4-galactanase in complex with galactotriose | Descriptor: | CALCIUM ION, Glycosyl Hydrolase Family 53, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Welner, D, Le Nours, J, De Maria, L, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | Deposit date: | 2006-03-23 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oligosaccharide binding of Bacillus licheniformis endo-beta-1,4-galactanase To be Published
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2GDC
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![BU of 2gdc by Molmil](/molmil-images/mine/2gdc) | Structure of Vinculin VD1 / IpaA560-633 complex | Descriptor: | Invasin ipaA, Vinculin | Authors: | Hamiaux, C, van Eerde, A, Parsot, C, Broos, J, Dijkstra, B.W. | Deposit date: | 2006-03-15 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural mimicry for vinculin activation by IpaA, a virulence factor of Shigella flexneri. Embo Rep., 7, 2006
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2G5K
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![BU of 2g5k by Molmil](/molmil-images/mine/2g5k) | Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site complexed with Apramycin | Descriptor: | 5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3', APRAMYCIN, COBALT HEXAMMINE(III), ... | Authors: | Kondo, J, Francois, B, Urzhumtsev, A, Westhof, E. | Deposit date: | 2006-02-23 | Release date: | 2006-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site Complexed with Apramycin Angew.Chem.Int.Ed.Engl., 45, 2006
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2GFA
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![BU of 2gfa by Molmil](/molmil-images/mine/2gfa) | double tudor domain complex structure | Descriptor: | Jumonji domain-containing protein 2A, peptide | Authors: | Huang, Y, Fang, J, Bedford, M.T, Zhang, Y, Xu, R.M. | Deposit date: | 2006-03-21 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recognition of histone H3 lysine-4 methylation by the double tudor domain of JMJD2A Science, 312, 2006
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7QUX
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![BU of 7qux by Molmil](/molmil-images/mine/7qux) | Crystal structure of P7C8 bound to CK2alpha | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2022-01-19 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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7RSU
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![BU of 7rsu by Molmil](/molmil-images/mine/7rsu) | TNA polymerase, n+2 product | Descriptor: | DNA polymerase, Primer, Template | Authors: | Maola, V, Chaput, J, Chim, N. | Deposit date: | 2021-08-11 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Polymerase Recognition of Threose Nucleic Acid Triphosphates Equipped with Diverse Chemical Functionalities. J.Am.Chem.Soc., 143, 2021
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7RH9
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![BU of 7rh9 by Molmil](/molmil-images/mine/7rh9) | Cryo-EM structure of human rod CNGA1/B1 channel in apo state | Descriptor: | Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1 | Authors: | Xue, J, Han, Y, Jiang, Y. | Deposit date: | 2021-07-16 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel. Neuron, 110, 2022
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