1CN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cn3 by Molmil](/molmil-images/mine/1cn3) | |
5XSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xsu by Molmil](/molmil-images/mine/5xsu) | novel orally efficacious inhibitors complexed with PARP1 | 分子名称: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Liu, Q, Xu, Y. | 登録日 | 2017-06-15 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
|
|
5XST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xst by Molmil](/molmil-images/mine/5xst) | novel orally efficacious inhibitors complexed with PARP1 | 分子名称: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Liu, Q, Xu, Y. | 登録日 | 2017-06-15 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
|
|
5XSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xsr by Molmil](/molmil-images/mine/5xsr) | novel orally efficacious inhibitors complexed with PARP1 | 分子名称: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Liu, Q, Xu, Y. | 登録日 | 2017-06-15 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
|
|
7SI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7si1 by Molmil](/molmil-images/mine/7si1) | |
7SHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7shv by Molmil](/molmil-images/mine/7shv) | Crystal structure of BRAF kinase domain bound to GDC0879 | 分子名称: | 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Kung, J.E, Sudhamsu, J. | 登録日 | 2021-10-11 | 公開日 | 2022-10-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Clearing the Path to Rapid High-Quality Protein Purification To Be Published
|
|
3DR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dr9 by Molmil](/molmil-images/mine/3dr9) | Increased Distal Histidine Conformational Flexibility in the Deoxy Form of Dehaloperoxidase from Amphitrite ornata | 分子名称: | Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Chen, X, de Serrano, V.S, Betts, L, Franzen, S. | 登録日 | 2008-07-10 | 公開日 | 2009-01-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Distal histidine conformational flexibility in dehaloperoxidase from Amphitrite ornata. Acta Crystallogr.,Sect.D, 65, 2009
|
|
8WNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wng by Molmil](/molmil-images/mine/8wng) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | 分子名称: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-05 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wo3 by Molmil](/molmil-images/mine/8wo3) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Mupirocin | 分子名称: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wnf by Molmil](/molmil-images/mine/8wnf) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in apo form | 分子名称: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-05 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wni by Molmil](/molmil-images/mine/8wni) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wo2 by Molmil](/molmil-images/mine/8wo2) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val-AMP | 分子名称: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WNJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wnj by Molmil](/molmil-images/mine/8wnj) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile-AMP | 分子名称: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
6UBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ubf by Molmil](/molmil-images/mine/6ubf) | |
8IGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | 分子名称: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | 著者 | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | 登録日 | 2023-02-21 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
|
|
8IGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | 分子名称: | 3C-like proteinase nsp5 | 著者 | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | 登録日 | 2023-02-21 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
|
|
4O33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o33 by Molmil](/molmil-images/mine/4o33) | Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex | 分子名称: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | 著者 | Li, X.L, Finci, L.I, Wang, J.H. | 登録日 | 2013-12-18 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Terazosin activates Pgk1 and Hsp90 to promote stress resistance. Nat.Chem.Biol., 11, 2015
|
|
4O3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o3f by Molmil](/molmil-images/mine/4o3f) | Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex | 分子名称: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | 著者 | Li, X.L, Finci, I.L, Wang, J.H. | 登録日 | 2013-12-18 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | 主引用文献 | Terazosin activates Pgk1 and Hsp90 to promote stress resistance. Nat.Chem.Biol., 11, 2015
|
|
6AIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aib by Molmil](/molmil-images/mine/6aib) | Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA | 分子名称: | DEAD-box ATP-dependent RNA helicase CshA | 著者 | Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z. | 登録日 | 2018-08-22 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
6AIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aic by Molmil](/molmil-images/mine/6aic) | Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA | 著者 | Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z. | 登録日 | 2018-08-22 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
8JZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jzs by Molmil](/molmil-images/mine/8jzs) | Outward-facing SLC15A4 dimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | 登録日 | 2023-07-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling. Nat Commun, 14, 2023
|
|
8JZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jzu by Molmil](/molmil-images/mine/8jzu) | SLC15A4_TASL complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | 登録日 | 2023-07-06 | 公開日 | 2023-09-27 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling. Nat Commun, 14, 2023
|
|
8JZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jzr by Molmil](/molmil-images/mine/8jzr) | Outward_facing SLC15A4 monomer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | 登録日 | 2023-07-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling. Nat Commun, 14, 2023
|
|
7V29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v29 by Molmil](/molmil-images/mine/7v29) | Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor | 分子名称: | Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION | 著者 | Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H. | 登録日 | 2021-08-07 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.983 Å) | 主引用文献 | Structure-based design of a dual-warhead covalent inhibitor of FGFR4. Commun Chem, 5, 2022
|
|
7F6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f6v by Molmil](/molmil-images/mine/7f6v) | Cryo-EM structure of the human TACAN channel in a closed state | 分子名称: | CHOLESTEROL, Ion channel TACAN | 著者 | Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q. | 登録日 | 2021-06-25 | 公開日 | 2022-02-16 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | Cryo-EM structure of the human TACAN in a closed state. Cell Rep, 38, 2022
|
|