7UW2
 
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Chattopadhyay, D, Yang, Z, Atigadda, V. | | 登録日 | 2022-05-02 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
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7UW4
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Chattopadhyay, D, Yang, Z, Atigadda, V. | | 登録日 | 2022-05-02 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
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8DSO
 | | Structure of cIAP1, BTK and BCCov | | 分子名称: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ... | | 著者 | Schiemer, J.S, Calabrese, M.F. | | 登録日 | 2022-07-22 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.334 Å) | | 主引用文献 | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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8DSF
 | | Structure of cIAP1 with BCCov | | 分子名称: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION | | 著者 | Schiemer, J.S, Calabrese, M.F. | | 登録日 | 2022-07-22 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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6JPA
 | | Rabbit Cav1.1-Verapamil Complex | | 分子名称: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Zhao, Y, Huang, G, Wu, J, Yan, N. | | 登録日 | 2019-03-26 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
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7TX8
 | | Long form D7 protein from Anopheles darlingi with U46619 and serotonin bound | | 分子名称: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Long form D7 salivary protein, SEROTONIN | | 著者 | Andersen, J.F, Alvarenga, P.H. | | 登録日 | 2022-02-08 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes.
Insect Biochem.Mol.Biol., 146, 2022
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7U1D
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6HQB
 | | Monomeric cyanobacterial photosystem I | | 分子名称: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | 著者 | Netzer-El, S.Y, Nelson, N, Caspy, I. | | 登録日 | 2018-09-24 | | 公開日 | 2019-01-16 | | 最終更新日 | 2019-01-30 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Crystal Structure of Photosystem I Monomer From Synechocystis PCC 6803.
Front Plant Sci, 9, 2018
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7Q85
 | | Crystal structure of human STING in complex with MD1193 | | 分子名称: | 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine, Stimulator of interferon genes protein | | 著者 | Smola, M, Klima, M, Boura, E. | | 登録日 | 2021-11-10 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.359 Å) | | 主引用文献 | Vinylphosphonate-based cyclic dinucleotides enhance STING-mediated cancer immunotherapy.
Eur.J.Med.Chem., 259, 2023
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8DO3
 | | Cryo-EM structure of the human Sec61 complex inhibited by eeyarestatin I | | 分子名称: | N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | | 著者 | Park, E, Itskanov, S. | | 登録日 | 2022-07-12 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
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7QKS
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7QKR
 | | Cryo-EM structure of ABC transporter STE6-2p from Pichia pastoris with Verapamil at 3.2 A resolution | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Dexverapamil, MAGNESIUM ION, ... | | 著者 | Schleker, E.S.M, Reinhart, C. | | 登録日 | 2021-12-18 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and functional investigation of ABC transporter STE6-2p from Pichia pastoris reveals unexpected interaction with sterol molecules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SNU
 | | Crystal structure of ShHTL7 from Striga hermonthica in complex with strigolactone antagonist RG6 | | 分子名称: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol, ACETATE ION, GLYCEROL, ... | | 著者 | Arellano-Saab, A, Stogios, P.J, Skarina, T, Yim, V, Savchenko, A, McCourt, P. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A novel strigolactone receptor antagonist provides insights into the structural inhibition, conditioning, and germination of the crop parasite Striga.
J.Biol.Chem., 298, 2022
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6INH
 | | A glycosyltransferase with UDP and the substrate | | 分子名称: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ... | | 著者 | Zhu, X. | | 登録日 | 2018-10-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
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7UVD
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | 分子名称: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
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6HUG
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | | 著者 | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | 登録日 | 2018-10-08 | | 公開日 | 2019-01-02 | | 最終更新日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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7SIU
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6H4H
 | | Usp28 catalytic domain variant E593D in complex with UbPA | | 分子名称: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28, ... | | 著者 | Klemm, T.A, Sauer, F, Kisker, C. | | 登録日 | 2018-07-21 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Differential Oligomerization of the Deubiquitinases USP25 and USP28 Regulates Their Activities.
Mol.Cell, 74, 2019
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6H7P
 | | Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine | | 分子名称: | CYCLOHEXANONE, Reductive Aminase, [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, ... | | 著者 | Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J. | | 登録日 | 2018-07-31 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structure of Reductive Aminase from Aspergillus terreus
Acs Catalysis, 2018
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7V33
 | | Active state complex I from rotenone-NADH dataset | | 分子名称: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-08-10 | | 公開日 | 2022-03-02 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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6KJZ
 | | Crystal structure of PDE4D catalytic domain complexed with compound 1 | | 分子名称: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | | 登録日 | 2019-07-23 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.200001 Å) | | 主引用文献 | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
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6KLI
 | | Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl | | 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, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ... | | 著者 | Xie, T, Liu, Z.C, Wang, G.G. | | 登録日 | 2019-07-30 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for monolignol oxidation by a maize laccase.
Nat.Plants, 6, 2020
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6KNR
 | | Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699 | | 分子名称: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol, Estrogen-related receptor gamma | | 著者 | Yoon, H, Kim, J, Chin, J, Song, J, Cho, S.J. | | 登録日 | 2019-08-07 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | | 主引用文献 | An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer.
Eur.J.Med.Chem., 205, 2020
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5GWO
 | | Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ... | | 著者 | Han, S, Lee, S. | | 登録日 | 2016-09-12 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.816 Å) | | 主引用文献 | Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
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5GWP
 | | Crystal structure of RCAR3:PP2C wild-type with (+)-ABA | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ... | | 著者 | Han, S, Lee, S. | | 登録日 | 2016-09-12 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.577 Å) | | 主引用文献 | Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
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