8UN8
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8U8X
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![BU of 8u8x by Molmil](/molmil-images/mine/8u8x) | crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | 分子名称: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wang, J, Mou, T.C. | 登録日 | 2023-09-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA . J.Med.Chem., 67, 2024
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8FEZ
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8FR6
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![BU of 8fr6 by Molmil](/molmil-images/mine/8fr6) | Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | 著者 | Wang, S, Kwong, P.D. | 登録日 | 2023-01-06 | 公開日 | 2023-04-19 | 最終更新日 | 2023-06-07 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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9AZX
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![BU of 9azx by Molmil](/molmil-images/mine/9azx) | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr | 分子名称: | Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate | 著者 | Wallace, S.D, Bagde, S.R, Fromme, J.C. | 登録日 | 2024-03-11 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | 主引用文献 | GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains. Acs Chem.Biol., 19, 2024
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8UR9
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![BU of 8ur9 by Molmil](/molmil-images/mine/8ur9) | Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | 著者 | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2023-10-25 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid. Proc.Natl.Acad.Sci.USA, 121, 2024
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9LDT
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![BU of 9ldt by Molmil](/molmil-images/mine/9ldt) | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | 分子名称: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | 著者 | Dunn, C.R, Holbrook, J.J, Muirhead, H. | 登録日 | 1991-11-26 | 公開日 | 1993-10-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of new enzymes based on the lactate dehydrogenase framework. Philos.Trans.R.Soc.London,Ser.B, 332, 1991
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8UTB
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![BU of 8utb by Molmil](/molmil-images/mine/8utb) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-10-30 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7VSW
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8UT1
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![BU of 8ut1 by Molmil](/molmil-images/mine/8ut1) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Hibbs, R.E, Noviello, C.M. | 登録日 | 2023-10-30 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V8C
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![BU of 8v8c by Molmil](/molmil-images/mine/8v8c) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 1 | 分子名称: | 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, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7VSU
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6OBL
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![BU of 6obl by Molmil](/molmil-images/mine/6obl) | JAK2 JH2 in complex with JAK168 | 分子名称: | Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2019-03-21 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.061 Å) | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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8V88
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![BU of 8v88 by Molmil](/molmil-images/mine/8v88) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V82
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![BU of 8v82 by Molmil](/molmil-images/mine/8v82) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-04 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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6I9Y
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![BU of 6i9y by Molmil](/molmil-images/mine/6i9y) | The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions | 分子名称: | 1,2-ETHANEDIOL, GOLD ION, HYDROXIDE ION, ... | 著者 | Mazzei, L, Cianci, M, Ciurli, S. | 登録日 | 2018-11-26 | 公開日 | 2019-05-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis. Acs Med.Chem.Lett., 10, 2019
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8V80
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![BU of 8v80 by Molmil](/molmil-images/mine/8v80) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-04 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.34 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V8D
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![BU of 8v8d by Molmil](/molmil-images/mine/8v8d) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2 | 分子名称: | 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, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V8A
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![BU of 8v8a by Molmil](/molmil-images/mine/8v8a) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 desensitized intermediate state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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9LDB
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![BU of 9ldb by Molmil](/molmil-images/mine/9ldb) | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | 分子名称: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | 著者 | Dunn, C.R, Holbrook, J.J, Muirhead, H. | 登録日 | 1991-11-26 | 公開日 | 1993-10-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design and synthesis of new enzymes based on the lactate dehydrogenase framework. Philos.Trans.R.Soc.London,Ser.B, 332, 1991
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8V89
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![BU of 8v89 by Molmil](/molmil-images/mine/8v89) | Alpha7-nicotinic acetylcholine receptor time resolved resting state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8XHR
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8V86
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![BU of 8v86 by Molmil](/molmil-images/mine/8v86) | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-04 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8UZJ
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![BU of 8uzj by Molmil](/molmil-images/mine/8uzj) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-11-15 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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6OF5
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![BU of 6of5 by Molmil](/molmil-images/mine/6of5) | The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ... | 著者 | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P. | 登録日 | 2019-03-28 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. Eur.J.Med.Chem., 182, 2019
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