3O51
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![BU of 3o51 by Molmil](/molmil-images/mine/3o51) | Crystal structure of anthranilamide 10 bound to AuroraA | 分子名称: | N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | 著者 | Huang, X. | 登録日 | 2010-07-27 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
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3QQU
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![BU of 3qqu by Molmil](/molmil-images/mine/3qqu) | Cocrystal structure of unphosphorylated igf with pyrimidine 8 | 分子名称: | Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | 著者 | Huang, X. | 登録日 | 2011-02-16 | 公開日 | 2011-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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8X3R
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8X3S
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![BU of 8x3s by Molmil](/molmil-images/mine/8x3s) | Crystal structure of human WDR5 in complex with PTEN | 分子名称: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | 著者 | Liu, Y, Huang, X, Shang, X. | 登録日 | 2023-11-14 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
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6UGL
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![BU of 6ugl by Molmil](/molmil-images/mine/6ugl) | VqmA bound to DPO | 分子名称: | 3,5-dimethylpyrazin-2(1H)-one, Helix-turn-helix transcriptional regulator | 著者 | Paczkowski, J.E, Huang, X. | 登録日 | 2019-09-26 | 公開日 | 2020-01-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Mechanism underlying autoinducer recognition in theVibrio choleraeDPO-VqmA quorum-sensing pathway. J.Biol.Chem., 295, 2020
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6USN
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![BU of 6usn by Molmil](/molmil-images/mine/6usn) | Co-crystal structure of SPR with compound 5 | 分子名称: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Huang, X, Wang, K. | 登録日 | 2019-10-28 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.773 Å) | 主引用文献 | Virtual screening to identify potent sepiapterin reductase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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4DVI
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![BU of 4dvi by Molmil](/molmil-images/mine/4dvi) | Crystal structure of Tankyrase 1 with IWR2 | 分子名称: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2012-02-23 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Novel binding mode of a potent and selective tankyrase inhibitor. Plos One, 7, 2012
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5CFB
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![BU of 5cfb by Molmil](/molmil-images/mine/5cfb) | Crystal Structure of Human Glycine Receptor alpha-3 Bound to Strychnine | 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, Glycine receptor subunit alpha-3,Glycine receptor subunit alpha-3, ... | 著者 | Shaffer, P.L, Huang, X, Chen, H. | 登録日 | 2015-07-08 | 公開日 | 2015-09-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Crystal structure of human glycine receptor-alpha 3 bound to antagonist strychnine. Nature, 526, 2015
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3UZP
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![BU of 3uzp by Molmil](/molmil-images/mine/3uzp) | crystal structure of ck1d with PF670462 from P21 crystal form | 分子名称: | 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta | 著者 | Huang, X. | 登録日 | 2011-12-07 | 公開日 | 2012-01-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J.Med.Chem., 55, 2012
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3UYS
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![BU of 3uys by Molmil](/molmil-images/mine/3uys) | Crystal structure of apo human ck1d | 分子名称: | Casein kinase I isoform delta, SULFATE ION | 著者 | Huang, X. | 登録日 | 2011-12-06 | 公開日 | 2012-01-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J.Med.Chem., 55, 2012
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3UYT
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![BU of 3uyt by Molmil](/molmil-images/mine/3uyt) | crystal structure of ck1d with PF670462 from P1 crystal form | 分子名称: | 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION | 著者 | Huang, X. | 登録日 | 2011-12-06 | 公開日 | 2012-01-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J.Med.Chem., 55, 2012
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2OFU
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![BU of 2ofu by Molmil](/molmil-images/mine/2ofu) | x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | 分子名称: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | 著者 | Huang, X. | 登録日 | 2007-01-04 | 公開日 | 2007-02-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
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2OFV
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![BU of 2ofv by Molmil](/molmil-images/mine/2ofv) | crystal structure of aminoquinazoline 1 bound to Lck | 分子名称: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | 著者 | Huang, X. | 登録日 | 2007-01-04 | 公開日 | 2007-02-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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2OG8
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![BU of 2og8 by Molmil](/molmil-images/mine/2og8) | crystal structure of aminoquinazoline 36 bound to Lck | 分子名称: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | 著者 | Huang, X. | 登録日 | 2007-01-05 | 公開日 | 2007-02-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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4RPV
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![BU of 4rpv by Molmil](/molmil-images/mine/4rpv) | co-crystal structure of Pim1 with compound 3 | 分子名称: | (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1 | 著者 | Huang, X. | 登録日 | 2014-10-31 | 公開日 | 2015-02-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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4HNM
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![BU of 4hnm by Molmil](/molmil-images/mine/4hnm) | Crystal structure of human catenin-beta-like 1 56 kDa fragment | 分子名称: | Beta-catenin-like protein 1 | 著者 | Du, Z, Huang, X, Wang, G, Wu, Y. | 登録日 | 2012-10-19 | 公開日 | 2013-07-31 | 最終更新日 | 2013-08-21 | 実験手法 | X-RAY DIFFRACTION (2.9001 Å) | 主引用文献 | The structure of full-length human CTNNBL1 reveals a distinct member of the armadillo-repeat protein family. Acta Crystallogr.,Sect.D, 69, 2013
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4HNF
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![BU of 4hnf by Molmil](/molmil-images/mine/4hnf) | Crystal structure of ck1d in complex with pf4800567 | 分子名称: | 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Casein kinase I isoform delta | 著者 | Huang, X, Long, A.M, Zhao, H. | 登録日 | 2012-10-19 | 公開日 | 2012-11-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. J.Med.Chem., 55, 2012
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4HOK
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![BU of 4hok by Molmil](/molmil-images/mine/4hok) | crystal structure of apo ck1e | 分子名称: | Casein kinase I isoform epsilon, SULFATE ION | 著者 | Huang, X, Long, A.M, Zhao, H. | 登録日 | 2012-10-22 | 公開日 | 2012-11-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. J.Med.Chem., 55, 2012
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4HNI
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![BU of 4hni by Molmil](/molmil-images/mine/4hni) | crystal structure of ck1e in complex with PF4800567 | 分子名称: | 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Casein kinase I isoform epsilon, SULFATE ION | 著者 | Huang, X, Long, A.M, Zhao, H. | 登録日 | 2012-10-19 | 公開日 | 2012-11-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. J.Med.Chem., 55, 2012
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4HM9
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![BU of 4hm9 by Molmil](/molmil-images/mine/4hm9) | Crystal structure of full-length human catenin-beta-like 1 | 分子名称: | Beta-catenin-like protein 1 | 著者 | Du, Z, Huang, X, Wang, G, Wu, Y. | 登録日 | 2012-10-18 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.1001 Å) | 主引用文献 | The structure of full-length human CTNNBL1 reveals a distinct member of the armadillo-repeat protein family. Acta Crystallogr.,Sect.D, 69, 2013
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4I9I
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![BU of 4i9i by Molmil](/molmil-images/mine/4i9i) | Crystal structure of tankyrase 1 with compound 4 | 分子名称: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2012-12-05 | 公開日 | 2013-02-06 | 最終更新日 | 2013-05-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket. J.Med.Chem., 56, 2013
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4H07
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![BU of 4h07 by Molmil](/molmil-images/mine/4h07) | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | 分子名称: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | 著者 | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | 登録日 | 2012-09-07 | 公開日 | 2012-11-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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4HBM
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![BU of 4hbm by Molmil](/molmil-images/mine/4hbm) | Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors | 分子名称: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid | 著者 | Huang, X. | 登録日 | 2012-09-28 | 公開日 | 2012-10-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Ordering of the N-terminus of human MDM2 by small molecule inhibitors. J.Am.Chem.Soc., 134, 2012
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4H0B
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![BU of 4h0b by Molmil](/molmil-images/mine/4h0b) | Complex of G65T Myoglobin with DMSO in its Distal Cavity | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Myoglobin, ... | 著者 | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | 登録日 | 2012-09-07 | 公開日 | 2012-11-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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3TJC
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![BU of 3tjc by Molmil](/molmil-images/mine/3tjc) | Co-crystal structure of jak2 with thienopyridine 8 | 分子名称: | 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | 著者 | Huang, X. | 登録日 | 2011-08-24 | 公開日 | 2011-11-30 | 最終更新日 | 2011-12-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors. J.Med.Chem., 54, 2011
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