6XN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xn2 by Molmil](/molmil-images/mine/6xn2) | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | 登録日 | 2020-07-02 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.652 Å) | 主引用文献 | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nat Commun, 12, 2021
|
|
8DAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dat by Molmil](/molmil-images/mine/8dat) | |
8DAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8das by Molmil](/molmil-images/mine/8das) | |
6PRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6prz by Molmil](/molmil-images/mine/6prz) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
|
|
6OYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oyu by Molmil](/molmil-images/mine/6oyu) | Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone | 分子名称: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ... | 著者 | Bart, A.G, Harris, K.L, Scott, E.E. | 登録日 | 2019-05-15 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability. J.Biol.Chem., 295, 2020
|
|
6P4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p4a by Molmil](/molmil-images/mine/6p4a) | |
6XGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xgv by Molmil](/molmil-images/mine/6xgv) | Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | 分子名称: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | 著者 | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | 登録日 | 2020-06-18 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
|
|
6XHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xhb by Molmil](/molmil-images/mine/6xhb) | Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II) | 分子名称: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | 著者 | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | 登録日 | 2020-06-18 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
|
|
2WC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wc0 by Molmil](/molmil-images/mine/2wc0) | crystal structure of human insulin degrading enzyme in complex with iodinated insulin | 分子名称: | 1,4-DIETHYLENE DIOXIDE, INSULIN A CHAIN, INSULIN B CHAIN, ... | 著者 | Manolopoulou, M, Guo, Q, Malito, E, Schilling, A.B, Tang, W.J. | 登録日 | 2009-03-06 | 公開日 | 2009-03-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular Basis of Catalytic Chamber-Assisted Unfolding and Cleavage of Human Insulin by Human Insulin Degrading Enzyme. J.Biol.Chem., 284, 2009
|
|
6Y3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y3v by Molmil](/molmil-images/mine/6y3v) | 14-3-3 Sigma in complex with phosphorylated c-Jun peptide | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | 登録日 | 2020-02-19 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
|
|
6Y44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y44 by Molmil](/molmil-images/mine/6y44) | 14-3-3 Sigma in complex with phosphorylated SOS1 peptide | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | 著者 | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | 登録日 | 2020-02-19 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
|
|
6Y7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y7w by Molmil](/molmil-images/mine/6y7w) | Fragment KCL_1337 in complex with MAP kinase p38-alpha | 分子名称: | (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-02 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
|
|
6YCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ycu by Molmil](/molmil-images/mine/6ycu) | Fragment KCL_K777 in complex with MAP kinase p38-alpha | 分子名称: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide, CALCIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-19 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
|
|
6P5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p5k by Molmil](/molmil-images/mine/6p5k) | Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 3) | 分子名称: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | 著者 | Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. | 登録日 | 2019-05-30 | 公開日 | 2019-09-18 | 最終更新日 | 2020-01-08 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs. Embo J., 38, 2019
|
|
3WL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wl1 by Molmil](/molmil-images/mine/3wl1) | Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with reaction products (GlcNAc)2,3 | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q. | 登録日 | 2013-11-05 | 公開日 | 2014-04-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.772 Å) | 主引用文献 | Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting. Acta Crystallogr.,Sect.D, 70, 2014
|
|
6PCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pcx by Molmil](/molmil-images/mine/6pcx) | Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 6.0 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | 著者 | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | 登録日 | 2019-06-18 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography. J.Struct.Biol., 209, 2020
|
|
6GYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyg by Molmil](/molmil-images/mine/6gyg) | |
6PHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6phy by Molmil](/molmil-images/mine/6phy) | SpAga D472N structure in complex alpha 1,3 galactobiose | 分子名称: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | 著者 | Pluvinage, B, Boraston, A.B. | 登録日 | 2019-06-25 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
|
|
6XTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xtx by Molmil](/molmil-images/mine/6xtx) | |
3D29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d29 by Molmil](/molmil-images/mine/3d29) | Proteasome Inhibition by Fellutamide B | 分子名称: | (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, PRE10 isoform 1, ... | 著者 | Groll, M, Hines, J, Fahnestock, M, Crews, M.C. | 登録日 | 2008-05-07 | 公開日 | 2008-06-10 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Proteasome Inhibition by Fellutamide B Induces Nerve Growth Factor Synthesis Chem.Biol., 15, 2008
|
|
6PNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pnr by Molmil](/molmil-images/mine/6pnr) | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ | 分子名称: | Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | 著者 | Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. | 登録日 | 2019-07-03 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ To Be Published
|
|
6PHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6phw by Molmil](/molmil-images/mine/6phw) | SpAga D472N structure in complex with melibiose | 分子名称: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | 著者 | Pluvinage, B, Boraston, A.B. | 登録日 | 2019-06-25 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
|
|
6XBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xbw by Molmil](/molmil-images/mine/6xbw) | Cryo-EM structure of V-ATPase from bovine brain, state 1 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, R, Li, X. | 登録日 | 2020-06-07 | 公開日 | 2020-08-19 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Cryo-EM structures of intact V-ATPase from bovine brain. Nat Commun, 11, 2020
|
|
6PRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6prr by Molmil](/molmil-images/mine/6prr) | The crystal structure of 3-methylaminobenzoate-bound CYP199A4 | 分子名称: | 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | 登録日 | 2019-07-11 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
|
|
6PS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ps1 by Molmil](/molmil-images/mine/6ps1) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
|
|