6XNK
| |
6DUJ
| |
4PT5
| |
4RNA
| Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus | 分子名称: | PHOSPHATE ION, ZINC ION, papain-like protease | 著者 | Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E. | 登録日 | 2014-10-23 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | 主引用文献 | Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV. Acs Chem.Biol., 10, 2015
|
|
7MRI
| |
4YIW
| DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND | 分子名称: | Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ZINC ION | 著者 | Lei, H, Santarsiero, B.D, Rice, A.J, Lee, H, Johnson, M.E. | 登録日 | 2015-03-02 | 公開日 | 2016-08-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase). Bioorg.Med.Chem., 24, 2016
|
|
3ETA
| Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | 分子名称: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | 著者 | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | 登録日 | 2008-10-07 | 公開日 | 2009-05-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
|
|
5TY3
| Crystal structure of K72A variant of Human Cytochrome c | 分子名称: | Cytochrome c, HEME C, SULFATE ION | 著者 | Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E. | 登録日 | 2016-11-18 | 公開日 | 2017-09-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c. Biochemistry, 56, 2017
|
|
3EKN
| Insulin receptor kinase complexed with an inhibitor | 分子名称: | 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor | 著者 | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L. | 登録日 | 2008-09-19 | 公開日 | 2008-12-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3EKK
| Insulin receptor kinase complexed with an inhibitor | 分子名称: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor | 著者 | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L. | 登録日 | 2008-09-19 | 公開日 | 2008-12-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3ELJ
| Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor. | 分子名称: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8 | 著者 | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J. | 登録日 | 2008-09-22 | 公開日 | 2008-12-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3H98
| Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | 分子名称: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | 著者 | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | 登録日 | 2009-04-30 | 公開日 | 2009-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives. Bioorg.Med.Chem.Lett., 19, 2009
|
|
8ENU
| Structure of the C3bB proconvertase in complex with lufaxin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | 著者 | Andersen, J.F, Lei, H. | 登録日 | 2022-09-30 | 公開日 | 2023-08-09 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism. Blood, 141, 2023
|
|
8EOK
| |
7KGV
| Crystal structure of sodium-coupled neutral amino acid transporter SLC38A9 in the N-terminal plugged form | 分子名称: | Monoclonal antibody Fab heavy chain, Monoclonal antibody Fab light chain, Sodium-coupled neutral amino acid transporter 9 | 著者 | Lei, H, Mu, X, Hattne, J, Gonen, T. | 登録日 | 2020-10-19 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | A conformational change in the N terminus of SLC38A9 signals mTORC1 activation. Structure, 29, 2021
|
|
6O5I
| Menin in complex with MI-3454 | 分子名称: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | 著者 | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | 登録日 | 2019-03-03 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.24025619 Å) | 主引用文献 | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
|
|
7SUS
| Crystal structure of Apelin receptor in complex with small molecule | 分子名称: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | 著者 | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | 登録日 | 2021-11-18 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insight into apelin receptor-G protein stoichiometry. Nat.Struct.Mol.Biol., 29, 2022
|
|
2G94
| Crystal structure of beta-secretase bound to a potent and highly selective inhibitor. | 分子名称: | Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE | 著者 | Hong, L, Ghosh, A, Tang, J. | 登録日 | 2006-03-05 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors. J.Am.Chem.Soc., 128, 2006
|
|
4PH4
| The crystal structure of Human VPS34 in complex with PIK-III | 分子名称: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2014-05-04 | 公開日 | 2014-10-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo. Nat.Cell Biol., 16, 2014
|
|
7LCC
| Helitron transposase bound to LTS | 分子名称: | Helraiser K1068Q, LTS, ZINC ION | 著者 | Kosek, D, Dyda, F. | 登録日 | 2021-01-10 | 公開日 | 2021-08-25 | 最終更新日 | 2021-11-03 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | The large bat Helitron DNA transposase forms a compact monomeric assembly that buries and protects its covalently bound 5'-transposon end. Mol.Cell, 81, 2021
|
|
4LI7
| TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | 分子名称: | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
|
|
4LI6
| TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | 分子名称: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide, SULFATE ION, Tankyrase-1, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
|
|
4LI8
| TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | 分子名称: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.521 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
|
|
8DER
| Cryo-EM local refinement of antibody SKV16 in complex with VEEV alphavirus spike glycoprotein | 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, SKV16 Fab Heavy Chain, ... | 著者 | Casner, R.G, Verardi, R, Roederer, M, Shapiro, L. | 登録日 | 2022-06-21 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
|
|
8DEQ
| Cryo-EM local refinement of antibody SKV09 in complex with VEEV alphavirus spike glycoprotein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SKV09 Fab Heavy Chain, SKV09 Fab Light Chain, ... | 著者 | Casner, R.G, Verardi, R, Roederer, M, Shapiro, L. | 登録日 | 2022-06-21 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
|
|