3JTW
 
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5ZH0
 | | Crystal Structures of Endo-beta-1,4-xylanase II | | 分子名称: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION | | 著者 | Zhang, X, Wan, Q, Li, Z. | | 登録日 | 2018-03-10 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Crystal Structures of Endo-beta-1,4-xylanase II
To be published
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5TUR
 | | Pim-1 kinase in complex with a 7-azaindole | | 分子名称: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | | 著者 | Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L. | | 登録日 | 2016-11-07 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.948 Å) | | 主引用文献 | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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5Z90
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5UR4
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5Z8G
 | | BRD4 Bromodomain 1 with an inhibitor | | 分子名称: | 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | | 著者 | Xiao, S, Chen, S, Chen, H. | | 登録日 | 2018-01-31 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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5Z8R
 | | BRD4 Bromodomain 1 with an inhibitor | | 分子名称: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | 著者 | Xiao, S, Chen, S, Chen, H. | | 登録日 | 2018-02-01 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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6D4U
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | | 分子名称: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | | 登録日 | 2018-04-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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9DBL
 | | Full-length apo human voltage-gated sodium channel 1.8 (NaV1.8), class I | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Neumann, B, McCarthy, S, Gonen, S. | | 登録日 | 2024-08-23 | | 公開日 | 2025-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Structural basis of inhibition of human Na V 1.8 by the tarantula venom peptide Protoxin-I.
Nat Commun, 16, 2025
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9DBK
 | | Full-length apo human voltage-gated sodium channel 1.8 (NaV1.8) | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Neumann, B, McCarthy, S, Gonen, S. | | 登録日 | 2024-08-23 | | 公開日 | 2025-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structural basis of inhibition of human Na V 1.8 by the tarantula venom peptide Protoxin-I.
Nat Commun, 16, 2025
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6H12
 | | Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Coquelle, N, Colletier, J.P. | | 登録日 | 2018-07-10 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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5X79
 | | Human GST Pi conjugated with novel inhibitor, GS-ESF | | 分子名称: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | | 著者 | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | | 登録日 | 2017-02-24 | | 公開日 | 2017-09-13 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Chem. Commun. (Camb.), 53, 2017
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5G4H
 | | 1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease | | 分子名称: | 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ... | | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | 登録日 | 2016-05-13 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Inactivation of Urease by Catechol: Kinetics and Structure.
J.Inorg.Biochem., 166, 2016
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1MAC
 | | CRYSTAL STRUCTURE AND SITE-DIRECTED MUTAGENESIS OF BACILLUS MACERANS ENDO-1,3-1,4-BETA-GLUCANASE | | 分子名称: | 1,3-1,4-BETA-D-GLUCAN 4-GLUCANOHYDROLASE, CALCIUM ION | | 著者 | Hahn, M, Heinemann, U. | | 登録日 | 1994-12-22 | | 公開日 | 1995-02-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure and site-directed mutagenesis of Bacillus macerans endo-1,3-1,4-beta-glucanase.
J.Biol.Chem., 270, 1995
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7CGR
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6H14
 | | Crystal structure of TcACHE complexed to 1-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)urea | | 分子名称: | 1,2-ETHANEDIOL, 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Coquelle, N, Colletier, J.P. | | 登録日 | 2018-07-10 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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3IHV
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4P62
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5WIY
 | | Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione | | 分子名称: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION | | 著者 | Carolan, J.P, Lynch, A.J, Allen, K.N. | | 登録日 | 2017-07-20 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
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6LJH
 | | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+ | | 分子名称: | Alcohol dehydrogenase 1, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Feng, X, Fan, S, Li, M, Zou, S, Lv, G, Wu, G, Jin, Y, Yang, Z. | | 登録日 | 2019-12-16 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+
To Be Published
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6D4W
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | | 分子名称: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | | 登録日 | 2018-04-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6BLX
 | | Crystal structure of IAg7 in complex with insulin mimotope p8G9E | | 分子名称: | 1,2-ETHANEDIOL, 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 | Wang, Y, Dai, S. | | 登録日 | 2017-11-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.323 Å) | | 主引用文献 | C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7Y5K
 | | Crystal structure of human CAF-1 core complex in spacegroup C2221 | | 分子名称: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ... | | 著者 | Liu, C.P, Wang, M.Z, Xu, R.M. | | 登録日 | 2022-06-17 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.48 Å) | | 主引用文献 | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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6T15
 | | The III2-IV(5B)1 respiratory supercomplex from S. cerevisiae | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CARDIOLIPIN, COPPER (II) ION, ... | | 著者 | Marechal, A, Pinotsis, N, Hartley, A. | | 登録日 | 2019-10-03 | | 公開日 | 2020-04-22 | | 最終更新日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6D67
 | | Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Designed AR protein mbp3_16, ... | | 著者 | Gumpena, R, Lountos, G.T, Waugh, D.S. | | 登録日 | 2018-04-20 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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