7AQL
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7WPZ
| Structure of PDF-2180-COV RBD binding to Bat37 ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | Deposit date: | 2022-01-24 | Release date: | 2022-11-30 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors. Nature, 612, 2022
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6YAQ
| Crystal sttructure of ZmCKO8 in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea | Descriptor: | 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 8, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2020-03-12 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture. J.Exp.Bot., 72, 2021
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6BJG
| CIRV p19 mutant T111H in complex with siRNA | Descriptor: | RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19 | Authors: | Foss, D.V, Schirle, N, Pezacki, J.P, Macrae, I.J. | Deposit date: | 2017-11-06 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs. Febs Open Bio, 9, 2019
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6FFX
| Crystal structure of R. ruber ADH-A, mutant F43H | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | Deposit date: | 2018-01-09 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin. Biochemistry, 57, 2018
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6UXP
| Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), Bcl-2 homologous antagonist/killer, GLYCEROL | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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7OEK
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ091 | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OEL
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7KOX
| Alpha-7 nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 in the activated state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Baxter, L, Cabuco, R, Borek, D, Sine, S. | Deposit date: | 2020-11-10 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor. Cell, 184, 2021
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7OEF
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ038 | Descriptor: | 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OEE
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7KJX
| Structure of HIV-1 reverse transcriptase initiation complex core with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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7OEI
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 | Descriptor: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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4Y0I
| GABA-aminotransferase inactivated by conformationally-restricted inactivator | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | Deposit date: | 2015-02-06 | Release date: | 2016-02-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | GABA-aminotransferase inactivated by conformationally-restricted inactivator To Be Published
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7OED
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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5FIH
| SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | Descriptor: | 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | Deposit date: | 2015-09-25 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations. J. Am. Chem. Soc., 138, 2016
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7OEJ
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ090 | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7KJW
| Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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7OEH
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ059b | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OEG
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ040b | Descriptor: | (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OEM
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ120 | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7KOQ
| Alpha-7 nicotinic acetylcholine receptor bound to epibatidine in a desensitized state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Cabuco, R, Baxter, L, Borek, D, Sine, S. | Deposit date: | 2020-11-09 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor. Cell, 184, 2021
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6V0M
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5JSQ
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7AZD
| DNA polymerase sliding clamp from Escherichia coli with peptide 20 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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