4K8S
 
 | | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity | | 分子名称: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one, Beta-secretase 1 | | 著者 | Jordan, S.R. | | 登録日 | 2013-04-18 | | 公開日 | 2013-07-10 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4KE1
 | | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 | | 分子名称: | (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione, Beta-Secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M, Li, V. | | 登録日 | 2013-04-25 | | 公開日 | 2013-07-03 | | 最終更新日 | 2013-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K9H
 | | Bace-1 inhibitor complex | | 分子名称: | 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide, Beta-secretase 1 | | 著者 | Jordan, S.R. | | 登録日 | 2013-04-19 | | 公開日 | 2013-07-10 | | 最終更新日 | 2013-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
3RSV
 | |
3RTH
 | |
4KE0
 | | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 | | 分子名称: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M, Li, V. | | 登録日 | 2013-04-25 | | 公開日 | 2013-07-03 | | 最終更新日 | 2013-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
3RTN
 | |
3RSX
 | |
3RTM
 | |
3RU1
 | |
8F2R
 | | Human CCC complex | | 分子名称: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | | 著者 | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | | 登録日 | 2022-11-08 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
|
|
8F2U
 | | Human CCC complex | | 分子名称: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | | 著者 | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | | 登録日 | 2022-11-08 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
|
|
7VVU
 | | NuA4 HAT module bound to the nucleosome | | 分子名称: | CARBOXYMETHYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ... | | 著者 | Chen, Z, Qu, K. | | 登録日 | 2021-11-09 | | 公開日 | 2022-08-10 | | 最終更新日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure of the NuA4 acetyltransferase complex bound to the nucleosome.
Nature, 610, 2022
|
|
7VVY
 | | TRA module of NuA4 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | | 著者 | Chen, Z, Qu, K. | | 登録日 | 2021-11-09 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of the NuA4 acetyltransferase complex bound to the nucleosome.
Nature, 610, 2022
|
|
7VVZ
 | | NuA4 bound to the nucleosome | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | | 著者 | Qu, K, Chen, Z. | | 登録日 | 2021-11-09 | | 公開日 | 2022-08-10 | | 最終更新日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (8.8 Å) | | 主引用文献 | Structure of the NuA4 acetyltransferase complex bound to the nucleosome.
Nature, 610, 2022
|
|
3LON
 | | HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | | 分子名称: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | | 著者 | Prongay, A.J. | | 登録日 | 2010-02-04 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
|
|
7WKH
 | | the grass carp IFNa | | 分子名称: | Interferon | | 著者 | Zou, J, WANG, J, Wang, Z. | | 登録日 | 2022-01-09 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
|
|
5Z5T
 | | The first bromodomain of BRD4 with compound BDF-2141 | | 分子名称: | 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4 | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2018-01-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.991 Å) | | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
|
|
5Z5V
 | | The first bromodomain of BRD4 with compound BDF-1253 | | 分子名称: | Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2018-01-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
|
|
5Z5U
 | | The first bromodomain of BRD4 with compound BDF-2254 | | 分子名称: | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4 | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2018-01-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
|
|
4O1V
 | | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer | | 分子名称: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein | | 著者 | Calabrese, M.F, Watson, E.R, Schulman, B.A. | | 登録日 | 2013-12-16 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
|
|
2H1Y
 | |
7EOD
 | | MITF HLHLZ Delta AKE | | 分子名称: | GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor | | 著者 | Li, P, Liu, Z, Fang, P, Wang, J. | | 登録日 | 2021-04-22 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
|
|
6BOZ
 | | Structure of human SETD8 in complex with covalent inhibitor MS4138 | | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | | 著者 | Babault, N, Anqi, M, Jin, J. | | 登録日 | 2017-11-21 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
|
|
2GVF
 | | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | | 分子名称: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | | 著者 | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | | 登録日 | 2006-05-02 | | 公開日 | 2007-01-23 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
