2AEF
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![BU of 2aef by Molmil](/molmil-images/mine/2aef) | Crystal Structures of the MthK RCK Domain in Ca2+ bound form | 分子名称: | CALCIUM ION, Calcium-gated potassium channel mthK | 著者 | Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y. | 登録日 | 2005-07-22 | 公開日 | 2005-10-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability J.Biol.Chem., 280, 2005
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5ZM7
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![BU of 5zm7 by Molmil](/molmil-images/mine/5zm7) | Crystal structure of ORP1-ORD in complex with cholesterol at 3.4 A resolution | 分子名称: | CHOLESTEROL, Oxysterol-binding protein-related protein 1 | 著者 | Dong, J, Wang, J, Wu, J.W. | 登録日 | 2018-04-01 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.401 Å) | 主引用文献 | Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2. Nat Commun, 10, 2019
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5ZM6
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![BU of 5zm6 by Molmil](/molmil-images/mine/5zm6) | Crystal structure of ORP1-ORD in complex with PI(4,5)P2 | 分子名称: | ACETATE ION, Oxysterol-binding protein-related protein 1, [(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate | 著者 | Dong, J, Wang, J, Luo, Z, Wu, J.W. | 登録日 | 2018-04-01 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2. Nat Commun, 10, 2019
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5ZM5
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![BU of 5zm5 by Molmil](/molmil-images/mine/5zm5) | Crystal structure of human ORP1-ORD in complex with cholesterol at 2.6 A resolution | 分子名称: | CHOLESTEROL, Oxysterol-binding protein-related protein 1 | 著者 | Dong, J, Wang, J, Wu, J.W. | 登録日 | 2018-04-01 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2. Nat Commun, 10, 2019
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3HTH
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![BU of 3hth by Molmil](/molmil-images/mine/3hth) | |
3HTA
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![BU of 3hta by Molmil](/molmil-images/mine/3hta) | |
3HTI
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![BU of 3hti by Molmil](/molmil-images/mine/3hti) | |
3HTJ
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![BU of 3htj by Molmil](/molmil-images/mine/3htj) | |
8GQT
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![BU of 8gqt by Molmil](/molmil-images/mine/8gqt) | |
6DLB
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![BU of 6dlb by Molmil](/molmil-images/mine/6dlb) | |
6DLA
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![BU of 6dla by Molmil](/molmil-images/mine/6dla) | |
4G2F
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![BU of 4g2f by Molmil](/molmil-images/mine/4g2f) | Human EphA3 kinase domain in complex with compound 7 | 分子名称: | 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2012-07-12 | 公開日 | 2012-10-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | 主引用文献 | Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS MED.CHEM.LETT., 3, 2012
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4GK3
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![BU of 4gk3 by Molmil](/molmil-images/mine/4gk3) | Human EphA3 Kinase domain in complex with ligand 87 | 分子名称: | 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2012-08-10 | 公開日 | 2013-01-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK2
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![BU of 4gk2 by Molmil](/molmil-images/mine/4gk2) | Human EphA3 Kinase domain in complex with ligand 66 | 分子名称: | 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2012-08-10 | 公開日 | 2013-01-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK4
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![BU of 4gk4 by Molmil](/molmil-images/mine/4gk4) | Human EphA3 Kinase domain in complex with ligand 90 | 分子名称: | 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2012-08-10 | 公開日 | 2013-01-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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5HCL
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![BU of 5hcl by Molmil](/molmil-images/mine/5hcl) | Crystal Structure of the first bromodomain of BRD4 in complex with DMA | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide | 著者 | Dong, J, Weber, F.E, Caflisch, A. | 登録日 | 2016-01-04 | 公開日 | 2017-01-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Sci Rep, 7, 2017
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5EIC
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![BU of 5eic by Molmil](/molmil-images/mine/5eic) | |
6CHX
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![BU of 6chx by Molmil](/molmil-images/mine/6chx) | |
5ENG
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![BU of 5eng by Molmil](/molmil-images/mine/5eng) | |
5EP7
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![BU of 5ep7 by Molmil](/molmil-images/mine/5ep7) | |
8IM2
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![BU of 8im2 by Molmil](/molmil-images/mine/8im2) | Crystal structure of human HPPD complexed with NTBC | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ... | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2023-03-05 | 公開日 | 2023-10-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors. Structure, 31, 2023
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8IM3
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![BU of 8im3 by Molmil](/molmil-images/mine/8im3) | Crystal structure of human HPPD complexed with compound a10 | 分子名称: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone | 著者 | Dong, J, Lin, H.-Y. | 登録日 | 2023-03-05 | 公開日 | 2023-10-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors. Structure, 31, 2023
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8HYO
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![BU of 8hyo by Molmil](/molmil-images/mine/8hyo) | Crystal structure of AtHPPD-Y18031 complex | 分子名称: | 4-hydroxyphenylpyruvate dioxygenase, 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2023-01-07 | 公開日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of AtHPPD-Y18031 complex To Be Published
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8I15
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![BU of 8i15 by Molmil](/molmil-images/mine/8i15) | Crystal structure of AtHPPD-YH20335 complex | 分子名称: | 1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2023-01-12 | 公開日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Crystal structure of AtHPPD-YH20335 complex To Be Published
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8I2U
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![BU of 8i2u by Molmil](/molmil-images/mine/8i2u) | Crystal structure of AtHPPD-YH20282 complex | 分子名称: | 2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2023-01-15 | 公開日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | Crystal structure of AtHPPD-YH20282 complex To Be Published
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