5XU6
 
 | | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) from Cryptococcus neoformans | | 分子名称: | Inositol-pentakisphosphate 2-kinase, SULFATE ION | | 著者 | Oh, J, Rhee, S. | | 登録日 | 2017-06-22 | | 公開日 | 2017-10-04 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans.
J. Struct. Biol., 200, 2017
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5M7J
 | | Blastochloris viridis photosynthetic reaction center structure using best crystal approach | | 分子名称: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | 著者 | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | | 登録日 | 2016-10-28 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
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6X8R
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5MA1
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-trichlorophenol | | 分子名称: | 2,4,6-trichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | 登録日 | 2016-11-02 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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6AAK
 | | Crystal structure of JAK3 in complex with peficitinib | | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK3 | | 著者 | Amano, Y. | | 登録日 | 2018-07-18 | | 公開日 | 2018-08-15 | | 最終更新日 | 2018-10-24 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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8CC7
 | | Mouse serotonin 5-HT3A receptor in complex with PZ-1939 | | 分子名称: | 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lopez-Sanchez, U, Nury, H. | | 登録日 | 2023-01-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.
J.Med.Chem., 66, 2023
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8C9X
 | | human alpha7 nicotinic receptor in complex with the C4 nanobody | | 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, Nanobody C4, ... | | 著者 | Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J. | | 登録日 | 2023-01-23 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
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8CC6
 | | Mouse serotonin 5-HT3A receptor in complex with PZ-1922 | | 分子名称: | 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lopez-Sanchez, U, Nury, H. | | 登録日 | 2023-01-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.
J.Med.Chem., 66, 2023
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8CI2
 | | human alpha7 nicotinic receptor in complex with the C4 nanobody under sub-saturating conditions | | 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, Nanobody C4, ... | | 著者 | Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J. | | 登録日 | 2023-02-08 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
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8CAU
 | | human alpha7 nicotinic receptor in complex with the C4 nanobody and nicotine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J. | | 登録日 | 2023-01-24 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
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7B3D
 | | Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3) | | 分子名称: | RNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3'), RNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3'), SARS-CoV-2 RNA-dependent RNA polymerase nsp12, ... | | 著者 | Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P. | | 登録日 | 2020-11-30 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
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8CE4
 | | Human alpha7 nicotinic receptor in complex with the E3 nanobody | | 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, Nanobody E3, ... | | 著者 | Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J. | | 登録日 | 2023-02-01 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
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1WMD
 | | Crystal Structure of alkaline serine protease KP-43 from Bacillus sp. KSM-KP43 (1.30 angstrom, 100 K) | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, GLYCEROL, ... | | 著者 | Nonaka, T, Fujihashi, M, Kita, A, Saeki, K, Ito, S, Horikoshi, K, Miki, K. | | 登録日 | 2004-07-08 | | 公開日 | 2004-09-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Crystal Structure of an Oxidatively Stable Subtilisin-like Alkaline Serine Protease, KP-43, with a C-terminal {beta}-Barrel Domain
J.Biol.Chem., 279, 2004
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1WMT
 | | Scorpion toxin (IsTX) from Opisthacanthus madagascariensis | | 分子名称: | IsTX | | 著者 | Yamaji, N, Dai, L, Sugase, K, Andriantsiferana, M, Nakajima, T, Iwashita, T. | | 登録日 | 2004-07-20 | | 公開日 | 2004-10-19 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of IsTX: A male scorpion toxin from Opisthacanthus madagascariensis (Ischnuridae)
Eur.J.Biochem., 271, 2004
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8CI1
 | | Human alpha7 nicotinic receptor in complex with the E3 nanobody and nicotine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J. | | 登録日 | 2023-02-08 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
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5X7Z
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID | | 分子名称: | 2-HYDROXY-4-AMINOBENZOIC ACID, Uncharacterized HTH-type transcriptional regulator Rv2887 | | 著者 | Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. | | 登録日 | 2017-02-28 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
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2MTO
 | | Non-reducible analogues of alpha-conotoxin RgIA: [2,8]-cis dicarba RgIA | | 分子名称: | Alpha-conotoxin RgIA | | 著者 | Chhabra, S, Robinson, S, Norton, R. | | 登録日 | 2014-08-26 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
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6Y5F
 | | Crystal structure of the envelope glycoprotein prefusion complex of Andes virus - Mutant H953F | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, PHOSPHATE ION, ... | | 著者 | Serris, A, Rey, F.A, Guardado-Calvo, P. | | 登録日 | 2020-02-25 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
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2IXU
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5M8G
 | | Tubulin-MTD265 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | 著者 | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | 登録日 | 2016-10-28 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.147 Å) | | 主引用文献 | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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2N7F
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1C3P
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2J7E
 | | Beta-glucosidase from Thermotoga maritima in complex with methyl acetate-substituted glucoimidazole | | 分子名称: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | 著者 | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | 登録日 | 2006-10-07 | | 公開日 | 2006-10-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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7B3E
 | | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2020-11-30 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
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7YPZ
 | | Zafirlukast in complex with CRM1-Ran-RanBP1 | | 分子名称: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | 著者 | Sun, Q, Lei, Y. | | 登録日 | 2022-08-05 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
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