5FNV
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![BU of 5fnv by Molmil](/molmil-images/mine/5fnv) | a new complex structure of tubulin with an alpha-beta unsaturated lactone | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, Y, Naismith, J, Zhu, X. | 登録日 | 2015-11-16 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule. Nat.Commun., 7, 2016
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7AZO
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![BU of 7azo by Molmil](/molmil-images/mine/7azo) | 70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977 | 分子名称: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ... | 著者 | Jenner, L.B, Yusupov, M, Yusupova, G. | 登録日 | 2020-11-17 | 公開日 | 2022-06-01 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 186, 2023
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7AZS
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![BU of 7azs by Molmil](/molmil-images/mine/7azs) | 70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569 | 分子名称: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ... | 著者 | Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A. | 登録日 | 2020-11-17 | 公開日 | 2022-06-08 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 186, 2023
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5JQG
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![BU of 5jqg by Molmil](/molmil-images/mine/5jqg) | An apo tubulin-RB-TTL complex structure used for side-by-side comparison | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Wang, Y.X, Naismith, J.H, Zhu, X. | 登録日 | 2016-05-04 | 公開日 | 2016-05-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Pironetin reacts covalently with cysteine-316 of alpha-tubulin to destabilize microtubule Nat Commun, 7, 2016
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4GJ2
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![BU of 4gj2 by Molmil](/molmil-images/mine/4gj2) | Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | 分子名称: | 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Ultsch, M.H. | 登録日 | 2012-08-09 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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4GII
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![BU of 4gii by Molmil](/molmil-images/mine/4gii) | |
5WAL
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![BU of 5wal by Molmil](/molmil-images/mine/5wal) | |
5WEV
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![BU of 5wev by Molmil](/molmil-images/mine/5wev) | |
7XMF
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![BU of 7xmf by Molmil](/molmil-images/mine/7xmf) | Cryo-EM structure of human NaV1.7/beta1/beta2-Nav1.7-IN2 | 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, 3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide, ... | 著者 | Zhang, J.T, Jiang, D.H. | 登録日 | 2022-04-25 | 公開日 | 2022-11-30 | 最終更新日 | 2022-12-28 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7XMG
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![BU of 7xmg by Molmil](/molmil-images/mine/7xmg) | Cryo-EM structure of human NaV1.7/beta1/beta2-TCN-1752 | 分子名称: | (1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jiang, D.H, Zhang, J.T. | 登録日 | 2022-04-25 | 公開日 | 2022-11-30 | 最終更新日 | 2022-12-28 | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | 主引用文献 | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7XM9
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![BU of 7xm9 by Molmil](/molmil-images/mine/7xm9) | Cryo-EM structure of human NaV1.7/beta1/beta2-XEN907 | 分子名称: | (7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | zhang, J.T, Jiang, D.H. | 登録日 | 2022-04-25 | 公開日 | 2022-11-30 | 最終更新日 | 2022-12-28 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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4GJ3
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![BU of 4gj3 by Molmil](/molmil-images/mine/4gj3) | Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | 分子名称: | 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Ultsch, M.H. | 登録日 | 2012-08-09 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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5ZZ8
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![BU of 5zz8 by Molmil](/molmil-images/mine/5zz8) | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | 分子名称: | Major capsid protein, UL17, UL25, ... | 著者 | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | 登録日 | 2018-05-31 | 公開日 | 2018-10-10 | 最終更新日 | 2019-11-06 | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | 主引用文献 | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component. Nat Commun, 9, 2018
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7CLD
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![BU of 7cld by Molmil](/molmil-images/mine/7cld) | Crystal structure of T2R-TTL-Cevipabulin complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-07-20 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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7DP8
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![BU of 7dp8 by Molmil](/molmil-images/mine/7dp8) | Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | 分子名称: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-12-18 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.446 Å) | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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8X73
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![BU of 8x73 by Molmil](/molmil-images/mine/8x73) | Crystal structure of Peroxiredoxin I in complex with compound 19-069 | 分子名称: | Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate | 著者 | Zhang, H, Luo, C. | 登録日 | 2023-11-22 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors. J.Med.Chem., 67, 2024
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8X71
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![BU of 8x71 by Molmil](/molmil-images/mine/8x71) | Crystal structure of Peroxiredoxin I in complex with compound 19-064 | 分子名称: | Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate | 著者 | Zhang, H, Luo, C. | 登録日 | 2023-11-22 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors. J.Med.Chem., 67, 2024
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8YSA
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![BU of 8ysa by Molmil](/molmil-images/mine/8ysa) | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102 | 分子名称: | 3C-like proteinase nsp5, BOC-TBG-PHE-ELL | 著者 | Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X. | 登録日 | 2024-03-22 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease To Be Published
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3G6L
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![BU of 3g6l by Molmil](/molmil-images/mine/3g6l) | |
4FFW
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![BU of 4ffw by Molmil](/molmil-images/mine/4ffw) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | 分子名称: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | 登録日 | 2012-06-01 | 公開日 | 2012-12-12 | 最終更新日 | 2021-05-19 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
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8DT0
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![BU of 8dt0 by Molmil](/molmil-images/mine/8dt0) | |
8HKQ
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![BU of 8hkq by Molmil](/molmil-images/mine/8hkq) | ion channel | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | 著者 | Jiang, D.H, Zhang, J.T. | 登録日 | 2022-11-27 | 公開日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation. Cell Rep, 42, 2023
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8HKK
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![BU of 8hkk by Molmil](/molmil-images/mine/8hkk) | ion channel | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | 著者 | Jiang, D.H, Zhang, J.T. | 登録日 | 2022-11-27 | 公開日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation. Cell Rep, 42, 2023
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8HIR
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![BU of 8hir by Molmil](/molmil-images/mine/8hir) | potassium channels | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | 著者 | Jiang, D.H, Zhang, J.T. | 登録日 | 2022-11-21 | 公開日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation. Cell Rep, 42, 2023
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8HKM
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![BU of 8hkm by Molmil](/molmil-images/mine/8hkm) | ion channel | 分子名称: | POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ... | 著者 | Jiang, D.H, Zhang, J.T. | 登録日 | 2022-11-27 | 公開日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structural basis of human Slo2.2 channel gating and modulation. Cell Rep, 42, 2023
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