7FQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fqh by Molmil](/molmil-images/mine/7fqh) | Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-1-[1-[4-(cyclopropylmethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | 著者 | Ehler, A, Benz, J, Bartels, B, Hewings-David, S, Rudolph, M.G. | 登録日 | 2022-10-05 | 公開日 | 2023-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Crystal Structure of a human Legumain complex To be published
|
|
7FQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fqk by Molmil](/molmil-images/mine/7fqk) | Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-yn-3-yl]-1-[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | 登録日 | 2022-10-05 | 公開日 | 2023-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal Structure of a human Legumain complex To be published
|
|
7FQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fql by Molmil](/molmil-images/mine/7fql) | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | 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, Legumain, ... | 著者 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | 登録日 | 2022-10-05 | 公開日 | 2023-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Crystal Structure of a human Legumain complex To be published
|
|
5SJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sjk by Molmil](/molmil-images/mine/5sjk) | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | 分子名称: | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Kyburz, E, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfh by Molmil](/molmil-images/mine/5sfh) | Crystal Structure of human phosphodiesterase 10 in complex with N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine | 分子名称: | MAGNESIUM ION, N-cyclopropyl-5-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl}-N,1-dimethyl-1H-1,2,4-triazol-3-amine, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sk0 by Molmil](/molmil-images/mine/5sk0) | Crystal Structure of human phosphodiesterase 10 in complex with N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-pyridin-4-ylpyrazole-3-carboxamide | 分子名称: | MAGNESIUM ION, N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5skh by Molmil](/molmil-images/mine/5skh) | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | 分子名称: | 3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Rogers-Evans, M, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sff by Molmil](/molmil-images/mine/5sff) | Crystal Structure of human phosphodiesterase 10 in complex with [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl]methanol | 分子名称: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ... | 著者 | Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfg by Molmil](/molmil-images/mine/5sfg) | Crystal Structure of human phosphodiesterase 10 in complex with N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | 分子名称: | MAGNESIUM ION, N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5se3 by Molmil](/molmil-images/mine/5se3) | Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | 分子名称: | 2-chloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5seg by Molmil](/molmil-images/mine/5seg) | Crystal Structure of human phosphodiesterase 10 in complex with 6-[(5-bromo-1-methyl-2-oxopyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-3H-benzimidazole-5-carboxamide | 分子名称: | 5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Bleicher, K, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfk by Molmil](/molmil-images/mine/5sfk) | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide | 分子名称: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sev by Molmil](/molmil-images/mine/5sev) | Crystal Structure of human phosphodiesterase 10 in complex with 2,3,5-trimethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine | 分子名称: | 2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfm by Molmil](/molmil-images/mine/5sfm) | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | 分子名称: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfd by Molmil](/molmil-images/mine/5sfd) | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(2-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | 分子名称: | (4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfs by Molmil](/molmil-images/mine/5sfs) | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-[2-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | 分子名称: | (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(3S)-3-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sft by Molmil](/molmil-images/mine/5sft) | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | 分子名称: | (4S)-5,8-dimethyl-2-{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfw by Molmil](/molmil-images/mine/5sfw) | Crystal Structure of human phosphodiesterase 10 in complex with 5-ethyl-8-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | 分子名称: | (4R)-5-ethyl-8-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sgd by Molmil](/molmil-images/mine/5sgd) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(methoxymethyl)-2-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide | 分子名称: | 4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sgu by Molmil](/molmil-images/mine/5sgu) | Crystal Structure of human phosphodiesterase 10 in complex with 12-methoxy-5,7-dimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene | 分子名称: | 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfv by Molmil](/molmil-images/mine/5sfv) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-(1-cyclopentylpyrazol-3-yl)-2-methylpyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Peters, J.U, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
5SHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sha by Molmil](/molmil-images/mine/5sha) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-[5-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | 分子名称: | (4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfz by Molmil](/molmil-images/mine/5sfz) | Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea | 分子名称: | MAGNESIUM ION, N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5shq by Molmil](/molmil-images/mine/5shq) | Crystal Structure of human phosphodiesterase 10 in complex with 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine | 分子名称: | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
|
|
5SFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfy by Molmil](/molmil-images/mine/5sfy) | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine | 分子名称: | (4S)-5,8-dimethyl-2-{(E)-2-[1-methyl-3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|