7PK3
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![BU of 7pk3 by Molmil](/molmil-images/mine/7pk3) | Notum_ARUK3001185 | Descriptor: | 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-25 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
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7PKV
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![BU of 7pkv by Molmil](/molmil-images/mine/7pkv) | Notum_Inhibitor ARUK3000223 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-26 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
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6ZBV
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![BU of 6zbv by Molmil](/molmil-images/mine/6zbv) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-06-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
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6Z7B
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![BU of 6z7b by Molmil](/molmil-images/mine/6z7b) | Variant Surface Glycoprotein VSGsur bound to suramin | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E, Jeffrey, P. | Deposit date: | 2020-05-30 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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8OVD
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![BU of 8ovd by Molmil](/molmil-images/mine/8ovd) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
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6WH3
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![BU of 6wh3 by Molmil](/molmil-images/mine/6wh3) | Capsid structure of Penaeus monodon metallodensovirus at pH 8.2 | Descriptor: | CALCIUM ION, Penaeus monodon metallodensovirus major capsid protein | Authors: | Penzes, J.J, Pham, H.T, Chipman, P, Bhattacharya, N, McKenna, R, Agbandje-McKenna, M, Tijssen, P. | Deposit date: | 2020-04-07 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Molecular biology and structure of a novel penaeid shrimp densovirus elucidate convergent parvoviral host capsid evolution. Proc.Natl.Acad.Sci.USA, 117, 2020
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7SM6
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![BU of 7sm6 by Molmil](/molmil-images/mine/7sm6) | [U:Hg2+/Hg2+:U--pH 8.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SM8
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![BU of 7sm8 by Molmil](/molmil-images/mine/7sm8) | [U:Hg2+/Ag+:U--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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6WRN
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![BU of 6wrn by Molmil](/molmil-images/mine/6wrn) | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A variant bound to 3-nitro-tyrosine | Descriptor: | META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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7SM9
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![BU of 7sm9 by Molmil](/molmil-images/mine/7sm9) | [U:Hg2+/Ag+:U--pH 10] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SMB
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![BU of 7smb by Molmil](/molmil-images/mine/7smb) | [U:Ag+/Ag+:U--pH 11] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.63 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SM7
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![BU of 7sm7 by Molmil](/molmil-images/mine/7sm7) | [U:Hg2+/Ag+:U--pH 9] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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6WYB
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![BU of 6wyb by Molmil](/molmil-images/mine/6wyb) | RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ... | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | Deposit date: | 2020-05-12 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
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7SMA
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![BU of 7sma by Molmil](/molmil-images/mine/7sma) | [U:Hg2+/Ag+:U--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7QGQ
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![BU of 7qgq by Molmil](/molmil-images/mine/7qgq) | |
6WRQ
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![BU of 6wrq by Molmil](/molmil-images/mine/6wrq) | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine | Descriptor: | GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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6ZHH
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![BU of 6zhh by Molmil](/molmil-images/mine/6zhh) | Ca2+-ATPase from Listeria Monocytogenes with G4 insertion. | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ... | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
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8SXT
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![BU of 8sxt by Molmil](/molmil-images/mine/8sxt) | Structure of LINE-1 ORF2p with template:primer hybrid | Descriptor: | DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | Authors: | van Eeuwen, T, Taylor, M.S, Rout, M.P. | Deposit date: | 2023-05-24 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
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4Q9L
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![BU of 4q9l by Molmil](/molmil-images/mine/4q9l) | P-glycoprotein cocrystallised with QZ-Phe | Descriptor: | (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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7T7U
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![BU of 7t7u by Molmil](/molmil-images/mine/7t7u) | Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627 | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ... | Authors: | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | Deposit date: | 2021-12-15 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins. Protein Sci., 32, 2023
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6Z7A
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![BU of 6z7a by Molmil](/molmil-images/mine/6z7a) | Variant Surface Glycoprotein VSGsur | Descriptor: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E, Hashemi, H. | Deposit date: | 2020-05-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | A Parasite Coat Protein Binds Suramin to Confer Drug Resistance Nat Microbiol, 6, 2021
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7SZR
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![BU of 7szr by Molmil](/molmil-images/mine/7szr) | NIK bound to inhibitor G02792917 | Descriptor: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Liau, N.P.D, Hymowitz, S.G. | Deposit date: | 2021-11-29 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design. Bioorg.Med.Chem.Lett., 89, 2023
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7QIW
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![BU of 7qiw by Molmil](/molmil-images/mine/7qiw) | Specific features and methylation sites of a plant ribosome. 60S ribosomal subunit. | Descriptor: | 25S rRNA, 5.8S rRNA, 50S ribosomal protein L22, ... | Authors: | Cottilli, P, Itoh, Y, Amunts, A. | Deposit date: | 2021-12-16 | Release date: | 2022-07-13 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Cryo-EM structure and rRNA modification sites of a plant ribosome. Plant Commun., 3, 2022
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6YWW
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![BU of 6yww by Molmil](/molmil-images/mine/6yww) | MeCP2 is a microsatellite binding protein that protects CA repeats from nucleosome invasion | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*AP*AP*TP*TP*GP*TP*GP*TP*GP*TP*GP*TP*GP*CP*AP*G)-3'), DNA/RNA (5'-D(*TP*CP*TP*GP*CP*AP*CP*A)-R(P*(5HC))-D(P*AP*CP*AP*CP*AP*AP*TP*TP*AP*TP*A)-3'), Truncated methyl CpG binding protein 2 transcript 1 | Authors: | Ibrahim, A, Papin, C, Mohideen-Abdul, K, Gras, S.L, Stoll, I, Bronner, C, Dimitrov, S, Klaholz, B.P, Hamiche, A. | Deposit date: | 2020-04-30 | Release date: | 2021-06-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | MeCP2 is a microsatellite binding protein that protects CA repeats from nucleosome invasion. Science, 372, 2021
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8CTY
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![BU of 8cty by Molmil](/molmil-images/mine/8cty) | 12-mer DNA structure of ExBIM bound to RNase-H | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA. Chem.Res.Toxicol., 35, 2022
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