6H50
 
 | | Crystal structure of human KDM5B in complex with compound 34a | | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
|
|
6H4R
 | | Crystal structure of human KDM4A in complex with compound 17f | | 分子名称: | 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
|
|
6H4Z
 | | Crystal structure of human KDM5B in complex with compound 16a | | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
|
|
5ACY
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C. | | 登録日 | 2015-08-18 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Autism-Like Syndrome is Induced by Pharmacological Suppression of Bet Proteins in Young Mice.
J.Exp.Med., 212, 2015
|
|
5B2Q
 | | Crystal structure of Francisella novicida Cas9 RHA in complex with sgRNA and target DNA (TGG PAM) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | 登録日 | 2016-02-01 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
|
|
5B43
 | | Crystal structure of Acidaminococcus sp. Cpf1 in complex with crRNA and target DNA | | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cpf1, DNA (34-MER), ... | | 著者 | Yamano, T, Nishimasu, H, Hirano, H, Nakane, T, Ishitani, R, Nureki, O. | | 登録日 | 2016-03-30 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Cpf1 in Complex with Guide RNA and Target DNA
Cell, 165, 2016
|
|
3E64
 | | Fragment based discovery of JAK-2 inhibitors | | 分子名称: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | 登録日 | 2008-08-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2012-02-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
5B2O
 | | Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGG PAM) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | 登録日 | 2016-02-01 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
|
|
6XLO
 | | Crystal structure of bRaf in complex with inhibitor | | 分子名称: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | | 著者 | Yin, J, Eigenbrot, C, Wang, W. | | 登録日 | 2020-06-28 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
|
|
7RQZ
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 48 degrees Celsius, in an open state, class alpha | | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | | 著者 | Kwon, D.H, Suo, Y, Lee, S.-Y. | | 登録日 | 2021-08-08 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
|
|
7RQY
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open state, class B | | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | | 著者 | Kwon, D.H, Suo, Y, Lee, S.-Y. | | 登録日 | 2021-08-08 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
|
|
7RQX
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A | | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | 著者 | Kwon, D.H, Suo, Y, Lee, S.-Y. | | 登録日 | 2021-08-08 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
|
|
7RQU
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I | | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, SODIUM ION, ... | | 著者 | Kwon, D.H, Suo, Y, Lee, S.-Y. | | 登録日 | 2021-08-08 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
|
|
7RQW
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an open state, class III | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... | | 著者 | Kwon, D.H, Suo, Y, Lee, S.-Y. | | 登録日 | 2021-08-08 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | | 主引用文献 | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
|
|
7RQV
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II | | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | 著者 | Kwon, D.H, Suo, Y, Lee, S.-Y. | | 登録日 | 2021-08-08 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | | 主引用文献 | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
|
|
5B2P
 | | Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGA PAM) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | 登録日 | 2016-02-01 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
|
|
3E63
 | | Fragment based discovery of JAK-2 inhibitors | | 分子名称: | 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | 登録日 | 2008-08-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2012-02-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3E62
 | | Fragment based discovery of JAK-2 inhibitors | | 分子名称: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | 登録日 | 2008-08-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2012-02-08 | | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
6J22
 | | Crystal structure of Bi-functional enzyme | | 分子名称: | Histidine biosynthesis bifunctional protein HisIE | | 著者 | Zhang, H, Shang, G, Wang, Y. | | 登録日 | 2018-12-30 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
Biochem.Biophys.Res.Commun., 516, 2019
|
|
6LNA
 | | YdiU complex with AMPNPP and Mn2+ | | 分子名称: | CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, B, Yang, Y, Ma, Y. | | 登録日 | 2019-12-28 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
|
|
6J2L
 | | Crystal structure of Bi-functional enzyme | | 分子名称: | Histidine biosynthesis bifunctional protein HisIE, MAGNESIUM ION, ZINC ION | | 著者 | Zhang, H, Shang, G, Wang, Y. | | 登録日 | 2019-01-01 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
Biochem.Biophys.Res.Commun., 516, 2019
|
|
6MZG
 | |
6MZE
 | |
6MZF
 | |
5CZZ
 | | Crystal structure of Staphylococcus aureus Cas9 in complex with sgRNA and target DNA (TTGAAT PAM) | | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, DNA (28-MER), ... | | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2015-08-01 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of Staphylococcus aureus Cas9.
Cell, 162, 2015
|
|
