6DCG
 
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
|
|
3NSQ
 | | Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron | | 分子名称: | 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha | | 著者 | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | | 登録日 | 2010-07-02 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
|
|
1JVB
 | | ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS | | 分子名称: | NAD(H)-DEPENDENT ALCOHOL DEHYDROGENASE, ZINC ION | | 著者 | Esposito, L, Sica, F, Zagari, A, Mazzarella, L. | | 登録日 | 2001-08-29 | | 公開日 | 2002-08-29 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of the alcohol dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus at 1.85 A resolution.
J.Mol.Biol., 318, 2002
|
|
5LFH
 | | NMR structure of peptide 10 targeting CXCR4 | | 分子名称: | ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS | | 著者 | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | | 登録日 | 2016-07-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2016-10-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
|
|
8C1V
 | | SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map | | 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, Sb92, ... | | 著者 | Huiskonen, J.T, Rissanen, I, Hannula, L. | | 登録日 | 2022-12-21 | | 公開日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants.
Nat Commun, 14, 2023
|
|
5LFF
 | | NMR structure of peptide 2 targeting CXCR4 | | 分子名称: | ARG-ALA-CYS-ARG-PHE-PHE-CYS | | 著者 | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | | 登録日 | 2016-07-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
|
|
5LNM
 | | Crystal structure of D1050E mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana | | 分子名称: | Histidine kinase CKI1 | | 著者 | Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L. | | 登録日 | 2016-08-05 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
|
|
5LNN
 | | Crystal structure of D1050A mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana | | 分子名称: | Histidine kinase CKI1 | | 著者 | Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L. | | 登録日 | 2016-08-05 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
|
|
4URH
 | | High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | 著者 | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | 登録日 | 2014-06-30 | | 公開日 | 2014-10-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
|
|
5LEV
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) | | 分子名称: | UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND | | 著者 | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2016-06-30 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
|
|
6TCD
 | | Crystal structure of Salmo salar RidA-2 | | 分子名称: | ACETATE ION, Ribonuclease UK114, SULFATE ION | | 著者 | Ricagno, S, Visentin, C, Di Pisa, F, Digiovanni, S, Oberti, L, Degani, G, Popolo, L, Bartorelli, A. | | 登録日 | 2019-11-05 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Two novel fish paralogs provide insights into the Rid family of imine deaminases active in pre-empting enamine/imine metabolic damage.
Sci Rep, 10, 2020
|
|
8I7N
 | | The Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | 分子名称: | (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, MAGNESIUM ION, SPERMIDINE, ... | | 著者 | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | | 登録日 | 2023-02-01 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
|
|
4URE
 | | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ... | | 著者 | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | | 登録日 | 2014-06-28 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
|
|
5LFG
 | | X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | | 著者 | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | | 登録日 | 2016-07-01 | | 公開日 | 2017-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
|
|
1K48
 | |
5LV3
 | | Crystal structure of mouse CARM1 in complex with ligand LH1561Br | | 分子名称: | 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-09-12 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
|
|
1KS0
 | | The First Fibronectin Type II Module from Human Matrix Metalloproteinase 2 | | 分子名称: | Matrix Metalloproteinase 2 | | 著者 | Gehrmann, M, Briknarova, K, Banyai, L, Patthy, L, Llinas, M. | | 登録日 | 2002-01-10 | | 公開日 | 2002-02-20 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The col-1 module of human matrix metalloproteinase-2 (MMP-2): structural/functional relatedness between gelatin-binding fibronectin type II modules and lysine-binding kringle domains.
Biol.Chem., 383, 2002
|
|
6NIR
 | |
1YGJ
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | 分子名称: | (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL, Pyridoxal kinase | | 著者 | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | 登録日 | 2005-01-05 | | 公開日 | 2005-07-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
|
|
3N50
 | | Human Early B-cell factor 3 (EBF3) IPT/TIG and HLHLH domains | | 分子名称: | Transcription factor COE3 | | 著者 | Lehtio, L, Siponen, M.I, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC) | | 登録日 | 2010-05-24 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | | 主引用文献 | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
|
|
1YBY
 | | Conserved hypothetical protein Cth-95 from Clostridium thermocellum | | 分子名称: | Translation elongation factor P, UNKNOWN ATOM OR ION | | 著者 | Zhao, M, Zhou, W, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-21 | | 公開日 | 2005-02-01 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Conserved hypothetical protein Cth-95 from Clostridium thermocellum
To be published
|
|
1YHJ
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | 分子名称: | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase | | 著者 | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | 登録日 | 2005-01-09 | | 公開日 | 2005-07-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
J.Biol.Chem., 280, 2005
|
|
1YGK
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | 分子名称: | Pyridoxal kinase, R-ROSCOVITINE | | 著者 | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | 登録日 | 2005-01-05 | | 公開日 | 2005-07-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
|
|
1YBX
 | | Conserved hypothetical protein Cth-383 from Clostridium thermocellum | | 分子名称: | Conserved hypothetical protein, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-21 | | 公開日 | 2005-02-01 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Conserved hypothetical protein Cth-383 from Clostridium thermocellum
To be published
|
|
6NPY
 | | Cryo-EM structure of NLRP3 bound to NEK7 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3, ... | | 著者 | Sharif, H, Wang, L, Wang, W.L, Wu, H. | | 登録日 | 2019-01-18 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural mechanism for NEK7-licensed activation of NLRP3 inflammasome.
Nature, 570, 2019
|
|
