8IGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8igb by Molmil](/molmil-images/mine/8igb) | |
3JSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jsi by Molmil](/molmil-images/mine/3jsi) | Human phosphodiesterase 9 in complex with inhibitor | 分子名称: | 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Liu, S. | 登録日 | 2009-09-10 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
|
|
3JYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jyj by Molmil](/molmil-images/mine/3jyj) | |
3JSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jsw by Molmil](/molmil-images/mine/3jsw) | Human PDE9 in complex with selective inhibitor | 分子名称: | 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Liu, S. | 登録日 | 2009-09-11 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
|
|
7XRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xrq by Molmil](/molmil-images/mine/7xrq) | |
8XEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xep by Molmil](/molmil-images/mine/8xep) | Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | 分子名称: | SULFATE ION, Type IV effector MavL, Ubiquitin | 著者 | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | 登録日 | 2023-12-12 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
|
|
6PWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pwc by Molmil](/molmil-images/mine/6pwc) | A complex structure of arrestin-2 bound to neurotensin receptor 1 | 分子名称: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | 著者 | Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E. | 登録日 | 2019-07-22 | 公開日 | 2019-12-04 | 最終更新日 | 2020-01-08 | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | 主引用文献 | A complex structure of arrestin-2 bound to a G protein-coupled receptor. Cell Res., 29, 2019
|
|
6JIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jiq by Molmil](/molmil-images/mine/6jiq) | Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6 | 分子名称: | DNA (5'-D(*TP*TP*TP*TP*T)-3'), SP_0782 | 著者 | Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P. | 登録日 | 2019-02-22 | 公開日 | 2019-11-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins. Nucleic Acids Res., 48, 2020
|
|
6ITA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ita by Molmil](/molmil-images/mine/6ita) | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | 分子名称: | Butyrophilin subfamily 3 member A1 | 著者 | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2018-11-20 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
6ISM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ism by Molmil](/molmil-images/mine/6ism) | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | 分子名称: | Butyrophilin subfamily 3 member A1 | 著者 | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2018-11-16 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
6J0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j0l by Molmil](/molmil-images/mine/6j0l) | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion | 分子名称: | Butyrophilin subfamily 3 member A3, SULFATE ION | 著者 | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2018-12-24 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
6J0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j0k by Molmil](/molmil-images/mine/6j0k) | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3 | 著者 | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2018-12-24 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
6J0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j0g by Molmil](/molmil-images/mine/6j0g) | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3 | 著者 | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2018-12-24 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
5QQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qqp by Molmil](/molmil-images/mine/5qqp) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-05-20 | 公開日 | 2019-09-18 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg.Med.Chem.Lett., 29, 2019
|
|
5QQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qqo by Molmil](/molmil-images/mine/5qqo) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | 著者 | Sheriff, S. | 登録日 | 2019-05-20 | 公開日 | 2019-09-18 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg.Med.Chem.Lett., 29, 2019
|
|
5QTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qtt by Molmil](/molmil-images/mine/5qtt) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-10-16 | 公開日 | 2019-12-25 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
|
|
5QTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qtu by Molmil](/molmil-images/mine/5qtu) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-10-16 | 公開日 | 2019-12-25 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
|
|
5QTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qtw by Molmil](/molmil-images/mine/5qtw) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-11-13 | 公開日 | 2020-01-29 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
|
|
5QTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qtv by Molmil](/molmil-images/mine/5qtv) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-11-13 | 公開日 | 2020-01-29 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
|
|
5QTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qtx by Molmil](/molmil-images/mine/5qtx) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-11-13 | 公開日 | 2020-01-29 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
|
|
5QTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qty by Molmil](/molmil-images/mine/5qty) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-11-13 | 公開日 | 2020-01-29 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
|
|
5JNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jnx by Molmil](/molmil-images/mine/5jnx) | The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus | 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, Envelope glycoprotein, ... | 著者 | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N. | 登録日 | 2016-05-01 | 公開日 | 2016-06-15 | 最終更新日 | 2020-08-05 | 実験手法 | ELECTRON MICROSCOPY (6.56 Å) | 主引用文献 | Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection Cell, 165, 2016
|
|
8U08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u08 by Molmil](/molmil-images/mine/8u08) | |
8U03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u03 by Molmil](/molmil-images/mine/8u03) | |
8W8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w8d by Molmil](/molmil-images/mine/8w8d) | |