6Z8C
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![BU of 6z8c by Molmil](/molmil-images/mine/6z8c) | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with N-desmethyltamoxifen (3.2 A resolution) | Descriptor: | 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | Deposit date: | 2020-06-02 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
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6MVY
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![BU of 6mvy by Molmil](/molmil-images/mine/6mvy) | NavAb voltage-gated sodium channel, residues 1-226, crystallized in the presence of Class 1B Anti-arrhythmic drug Lidocaine | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, SULFATE ION | Authors: | Lenaeus, M.J, Catterall, W.A. | Deposit date: | 2018-10-28 | Release date: | 2018-12-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Fenestrations control resting-state block of a voltage-gated sodium channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6MVX
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6MVV
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![BU of 6mvv by Molmil](/molmil-images/mine/6mvv) | NavAb voltage-gated sodium channel, I217C/F203A | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, PHOSPHATE ION | Authors: | Lenaeus, M.J, Catterall, W.A. | Deposit date: | 2018-10-28 | Release date: | 2018-12-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Fenestrations control resting-state block of a voltage-gated sodium channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6Z84
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![BU of 6z84 by Molmil](/molmil-images/mine/6z84) | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-02 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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8BP2
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![BU of 8bp2 by Molmil](/molmil-images/mine/8bp2) | 2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Morgan, H, Warren, A.J. | Deposit date: | 2022-11-15 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase. Int J Mol Sci, 24, 2023
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6WJ5
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![BU of 6wj5 by Molmil](/molmil-images/mine/6wj5) | Structure of human TRPA1 in complex with inhibitor GDC-0334 | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | Deposit date: | 2020-04-11 | Release date: | 2021-02-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J.Exp.Med., 218, 2021
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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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6NKM
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![BU of 6nkm by Molmil](/molmil-images/mine/6nkm) | Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate | Descriptor: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | Authors: | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-01-07 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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6ZQZ
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![BU of 6zqz by Molmil](/molmil-images/mine/6zqz) | [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors | Descriptor: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Tresadern, G, Leonard, P.M. | Deposit date: | 2020-07-10 | Release date: | 2020-11-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | [1,2,4]Triazolo[1,5- a ]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration. J.Med.Chem., 63, 2020
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8B4J
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![BU of 8b4j by Molmil](/molmil-images/mine/8b4j) | Rfa1-N-terminal domain in complex with phosphorylated Ddc2 | Descriptor: | 1,2-ETHANEDIOL, DNA damage checkpoint protein LCD1, Replication factor A protein 1, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A. Proc.Natl.Acad.Sci.USA, 120, 2023
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6XKA
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6O30
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![BU of 6o30 by Molmil](/molmil-images/mine/6o30) | Lipid A transporter MsbA from Salmonella typhimurium | Descriptor: | Lipid A export ATP-binding/permease protein MsbA | Authors: | Padayatti, P.S, Zhang, Q, Wilson, I.A, Lee, S.C, Stanfield, R.L. | Deposit date: | 2019-02-25 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.47 Å) | Cite: | Structural Insights into the Lipid A Transport Pathway in MsbA. Structure, 27, 2019
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6ZWK
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![BU of 6zwk by Molmil](/molmil-images/mine/6zwk) | Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody) | Descriptor: | CHLORIDE ION, Histone H2AX, SODIUM ION, ... | Authors: | McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A. | Deposit date: | 2020-07-28 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress. Cancers (Basel), 13, 2021
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6XAH
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![BU of 6xah by Molmil](/molmil-images/mine/6xah) | Structure of a Stable Interstrand DNA Crosslink Involving an dA Amino Group and an Abasic Site | Descriptor: | DNA (5'-D(*TP*AP*GP*AP*TP*GP*AP*AP*CP*(AAB)P*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*TP*AP*AP*GP*TP*TP*CP*AP*TP*CP*TP*A)-3') | Authors: | Kellum Jr, A.H, Qiu, D, Voehler, M.W, Martin, W.J, Gates, K.S, Stone, M.P. | Deposit date: | 2020-06-04 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of a Stable Interstrand DNA Cross-Link Involving a beta- N -Glycosyl Linkage Between an N 6 -dA Amino Group and an Abasic Site. Biochemistry, 60, 2021
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6XQ0
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6XML
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![BU of 6xml by Molmil](/molmil-images/mine/6xml) | Human aldolase A I98C | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Brewer, K, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMO
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![BU of 6xmo by Molmil](/molmil-images/mine/6xmo) | Human aldolase A I98F | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6O9V
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![BU of 6o9v by Molmil](/molmil-images/mine/6o9v) | KirBac3.1 mutant at a resolution of 3.1 Angstroms | Descriptor: | 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ... | Authors: | Gulbis, J.M, Black, K.A, Miller, D.M. | Deposit date: | 2019-03-15 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.094 Å) | Cite: | A constricted opening in Kir channels does not impede potassium conduction. Nat Commun, 11, 2020
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6XMH
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![BU of 6xmh by Molmil](/molmil-images/mine/6xmh) | Human aldolase A wild type | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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7AYI
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![BU of 7ayi by Molmil](/molmil-images/mine/7ayi) | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2a) | Descriptor: | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors. Molecules, 26, 2021
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6OKD
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![BU of 6okd by Molmil](/molmil-images/mine/6okd) | Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Finton, K.A.K, Rupert, P.B, Strong, R.K. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules. J.Mol.Biol., 432, 2020
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7AYH
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![BU of 7ayh by Molmil](/molmil-images/mine/7ayh) | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c) | Descriptor: | 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors. Molecules, 26, 2021
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8C29
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![BU of 8c29 by Molmil](/molmil-images/mine/8c29) | Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Kopecny, D, Semchonok, D.A, Kouril, R. | Deposit date: | 2022-12-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.785 Å) | Cite: | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol. Nat.Plants, 9, 2023
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4RQY
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![BU of 4rqy by Molmil](/molmil-images/mine/4rqy) | |