6KLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kla by Molmil](/molmil-images/mine/6kla) | Crystal structure of human c-KIT kinase domain in complex with compound 15a | 分子名称: | Mast/stem cell growth factor receptor Kit, N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine | 著者 | Wu, T.S, Peng, Y.H, Hsueh, C.C, Wu, S.Y. | 登録日 | 2019-07-30 | 公開日 | 2019-11-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.109 Å) | 主引用文献 | Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
|
|
4JBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jbo by Molmil](/molmil-images/mine/4jbo) | Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules | 分子名称: | 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora kinase A | 著者 | Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y. | 登録日 | 2013-02-20 | 公開日 | 2013-06-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | 主引用文献 | Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4JBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jbp by Molmil](/molmil-images/mine/4jbp) | Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules | 分子名称: | 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora Kinase A | 著者 | Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y. | 登録日 | 2013-02-20 | 公開日 | 2013-06-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4JBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jbq by Molmil](/molmil-images/mine/4jbq) | Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules | 分子名称: | Aurora Kinase A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE | 著者 | Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y. | 登録日 | 2013-02-20 | 公開日 | 2013-06-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6KOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kof by Molmil](/molmil-images/mine/6kof) | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 | 分子名称: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, S.Y. | 登録日 | 2019-08-09 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.263 Å) | 主引用文献 | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
|
|
6KW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kw7 by Molmil](/molmil-images/mine/6kw7) | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12 | 分子名称: | 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, S.Y. | 登録日 | 2019-09-06 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
|
|
6KPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kps by Molmil](/molmil-images/mine/6kps) | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36 | 分子名称: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, S.Y. | 登録日 | 2019-08-16 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | 主引用文献 | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
|
|
7EHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ehj by Molmil](/molmil-images/mine/7ehj) | human MTHFD2 in complex with compound 21, cofactor and phosphate. | 分子名称: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | 著者 | Lee, L.C, Peng, Y.H, Wu, S.Y. | 登録日 | 2021-03-29 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2). J.Med.Chem., 64, 2021
|
|
7EHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ehn by Molmil](/molmil-images/mine/7ehn) | Human MTHFD2 in complex with compound 21 and 9 | 分子名称: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | 著者 | Lee, L.C, Peng, Y.H, Wu, S.Y. | 登録日 | 2021-03-30 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2). J.Med.Chem., 64, 2021
|
|
7EHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ehm by Molmil](/molmil-images/mine/7ehm) | Human MTHFD2 in complex with compound 21 and 15 | 分子名称: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | 著者 | Lee, L.C, Peng, Y.H, Wu, S.Y. | 登録日 | 2021-03-30 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2). J.Med.Chem., 64, 2021
|
|
7EHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ehv by Molmil](/molmil-images/mine/7ehv) | Human MTHFD2 in complex with compound 21 and 3 | 分子名称: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | 著者 | Lee, L.C, Peng, Y.H, Wu, S.Y. | 登録日 | 2021-03-30 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2). J.Med.Chem., 64, 2021
|
|
5EK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ek4 by Molmil](/molmil-images/mine/5ek4) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wu, S.Y, Peng, Y.H, Wu, J.S. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
|
|
5EK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ek2 by Molmil](/molmil-images/mine/5ek2) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, J.S, Wu, S.Y. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
|
|
5ETW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5etw by Molmil](/molmil-images/mine/5etw) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wu, S.Y, Peng, Y.H, Wu, J.S. | 登録日 | 2015-11-18 | 公開日 | 2016-02-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1. J.Med.Chem., 59, 2016
|
|
5EK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ek3 by Molmil](/molmil-images/mine/5ek3) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, J.S, Wu, S.Y. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
|
|