5JAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jab by Molmil](/molmil-images/mine/5jab) | |
6LSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lsf by Molmil](/molmil-images/mine/6lsf) | Crystal structure of the enterovirus 71 polymerase elongation complex (C2S6RA/C2S6RB form) | 分子名称: | Genome polyprotein, RNA (35-MER), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*CP*C)-3'), ... | 著者 | Wang, M, Shu, B, Jing, X, Gong, P. | 登録日 | 2020-01-17 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Stringent control of the RNA-dependent RNA polymerase translocation revealed by multiple intermediate structures. Nat Commun, 11, 2020
|
|
7UB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ub5 by Molmil](/molmil-images/mine/7ub5) | |
7UB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ub0 by Molmil](/molmil-images/mine/7ub0) | |
7UB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ub6 by Molmil](/molmil-images/mine/7ub6) | |
6G2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g2m by Molmil](/molmil-images/mine/6g2m) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU | 分子名称: | 1,2-ETHANEDIOL, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2018-03-23 | 公開日 | 2018-07-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases Eur.J.Org.Chem., 2018
|
|
5AQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqi by Molmil](/molmil-images/mine/5aqi) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
6VVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vvg by Molmil](/molmil-images/mine/6vvg) | Structure of the Cydia pomonella Granulovirus kinase, PK-1 | 分子名称: | ADENOSINE MONOPHOSPHATE, Arginine kinase | 著者 | Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P. | 登録日 | 2020-02-17 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix. Nat Commun, 12, 2021
|
|
3IS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3is8 by Molmil](/molmil-images/mine/3is8) | Structure of mineralized Bfrb soaked with FeSO4 from Pseudomonas aeruginosa to 2.25A Resolution | 分子名称: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | 著者 | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | 登録日 | 2009-08-25 | 公開日 | 2010-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
|
|
6CP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cp5 by Molmil](/molmil-images/mine/6cp5) | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of oligomycin bound generated from focused refinement. | 分子名称: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | 著者 | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | 登録日 | 2018-03-13 | 公開日 | 2018-04-11 | 最終更新日 | 2020-01-15 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
|
|
5J8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j8r by Molmil](/molmil-images/mine/5j8r) | Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 12 - K61R mutant | 分子名称: | Tyrosine-protein phosphatase non-receptor type 12 | 著者 | Li, H, Yang, F, Xu, Y.F, Wang, W.J, Xiao, P, Yu, X, Sun, J.P. | 登録日 | 2016-04-08 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.043 Å) | 主引用文献 | Crystal structure and substrate specificity of PTPN12. Cell Rep, 15, 2016
|
|
6VX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vx7 by Molmil](/molmil-images/mine/6vx7) | bestrophin-2 Ca2+-bound state (5 mM Ca2+) | 分子名称: | Bestrophin, CALCIUM ION, CHLORIDE ION | 著者 | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | 登録日 | 2020-02-21 | 公開日 | 2020-04-08 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.36 Å) | 主引用文献 | Structural and functional characterization of the bestrophin-2 anion channel. Nat.Struct.Mol.Biol., 27, 2020
|
|
6VXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vxm by Molmil](/molmil-images/mine/6vxm) | |
5AMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5amn by Molmil](/molmil-images/mine/5amn) | The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors | 分子名称: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | 著者 | Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J. | 登録日 | 2015-03-11 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity. Eur J Med Chem, 112, 2016
|
|
5AQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqq by Molmil](/molmil-images/mine/5aqq) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
5AQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqr by Molmil](/molmil-images/mine/5aqr) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
2WSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wsd by Molmil](/molmil-images/mine/2wsd) | Proximal mutations at the type 1 Cu site of CotA-laccase: I494A mutant | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | 著者 | Silva, C.S, Durao, P, Chen, Z, Soares, C.M, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | 登録日 | 2009-09-04 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Proximal Mutations at the Type 1 Copper Site of Cota Laccase: Spectroscopic, Redox, Kinetic and Structural Characterization of I494A and L386A Mutants. Biochem.J., 412, 2008
|
|
5ZHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zhl by Molmil](/molmil-images/mine/5zhl) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | 分子名称: | N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | 登録日 | 2018-03-13 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
|
|
1XII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xii by Molmil](/molmil-images/mine/1xii) | |
2WI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wi6 by Molmil](/molmil-images/mine/2wi6) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
|
|
7TL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tl9 by Molmil](/molmil-images/mine/7tl9) | |
5JJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jjj by Molmil](/molmil-images/mine/5jjj) | Structure of the SRII/HtrII Complex in P64 space group ("U" shape) | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | 著者 | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | 登録日 | 2016-04-24 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
|
|
5C0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c0a by Molmil](/molmil-images/mine/5c0a) | 1E6 TCR in complex with HLA-A02 carrying MVW peptide | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
|
|
7TGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tge by Molmil](/molmil-images/mine/7tge) | |
3P4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p4w by Molmil](/molmil-images/mine/3p4w) | Structure of desflurane bound to a pentameric ligand-gated ion channel, GLIC | 分子名称: | (2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J. | 登録日 | 2010-10-07 | 公開日 | 2011-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel Nature, 469, 2011
|
|