5LS6
 
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | 分子名称: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | 著者 | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | 登録日 | 2016-08-22 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.47 Å) | | 主引用文献 | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
|
|
7DNO
 | | Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | | 分子名称: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | | 著者 | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | | 登録日 | 2020-12-10 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
|
|
6X7D
 | |
4KN6
 | | Crystal structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with 6-fluoro-3-hydroxy-2-pyrazinecarboxamide (T-705) ribose-5'-monophosphate | | 分子名称: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Naesens, L, Guddat, L, Keough, D, van Kuilenburg, A.B.P, Meijer, J, Vande Voorde, J, Balzarini, J. | | 登録日 | 2013-05-08 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.728 Å) | | 主引用文献 | Role of human hypoxanthine Guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir).
Mol.Pharmacol., 84, 2013
|
|
6XJR
 | |
5LG7
 | | Solution NMR structure of Tryptophan to Arginine mutant of Arkadia RING domain | | 分子名称: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | | 著者 | Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A. | | 登録日 | 2016-07-06 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
|
|
2RRD
 | | Structure of HRDC domain from human Bloom syndrome protein, BLM | | 分子名称: | HRDC domain from Bloom syndrome protein | | 著者 | Sato, A, Mishima, M, Nagai, A, Kim, S.Y, Ito, Y, Hakoshima, T, Jee, J.G, Kitano, K. | | 登録日 | 2010-07-19 | | 公開日 | 2010-09-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the HRDC domain of human Bloom syndrome protein BLM
J.Biochem., 148, 2010
|
|
2RD6
 | | PARP complexed with A861695 | | 分子名称: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1 | | 著者 | Park, C.H. | | 登録日 | 2007-09-21 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | PARP complexed with A861695
To be Published
|
|
6XEC
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) | | 分子名称: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Clausen, D. | | 登録日 | 2020-06-12 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
4KXX
 | | Human transketolase in covalent complex with donor ketose D-sedoheptulose-7-phosphate | | 分子名称: | (2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | 著者 | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | | 登録日 | 2013-05-28 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
|
|
7D35
 | | Human LC8 bound to ebola virus VP35(67-76) | | 分子名称: | Dynein light chain 1, cytoplasmic, Peptide from Polymerase cofactor VP35 | | 著者 | Ku, B, Lim, D. | | 登録日 | 2020-09-18 | | 公開日 | 2021-04-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Crystal structure of human LC8 bound to a peptide from Ebola virus VP35.
J.Microbiol, 59, 2021
|
|
5LT4
 | |
5LUD
 | | Structure of Cyclophilin A in complex with 2,3-Diaminopyridine | | 分子名称: | Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine | | 著者 | McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D. | | 登録日 | 2016-09-08 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200.
FEBS Open Bio, 7, 2017
|
|
2TSR
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | 著者 | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | 登録日 | 1998-06-19 | | 公開日 | 1999-02-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
|
|
7DME
 | | Solution structure of human Aha1 | | 分子名称: | Activator of 90 kDa heat shock protein ATPase homolog 1 | | 著者 | Hu, H, Zhou, C, Zhang, N. | | 登録日 | 2020-12-03 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
|
|
6XJU
 | | Crystal Structure of KPT-8602 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ) | | 分子名称: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | | 著者 | Baumhardt, J.M, Chook, Y.M. | | 登録日 | 2020-06-24 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.193 Å) | | 主引用文献 | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
|
|
6XU1
 | | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | 登録日 | 2020-01-17 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
|
|
2RS8
 | | Solution structure of the N-terminal RNA recognition motif of NonO | | 分子名称: | Non-POU domain-containing octamer-binding protein | | 著者 | Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2011-11-29 | | 公開日 | 2012-12-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the N-terminal RNA recognition motif of NonO
To be Published
|
|
6XK9
 | | Cereblon in complex with DDB1, CC-90009, and GSPT1 | | 分子名称: | 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | | 著者 | Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P. | | 登録日 | 2020-06-25 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.64 Å) | | 主引用文献 | CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
|
|
4KXU
 | | Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate | | 分子名称: | 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ... | | 著者 | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | | 登録日 | 2013-05-28 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
|
|
7DHG
 | | Crystal structure of SARS-CoV-2 Orf9b complex with human TOM70 | | 分子名称: | Mitochondrial import receptor subunit TOM70, ORF9b protein | | 著者 | Gao, X, Zhu, K, Qin, B, Olieric, V, Wang, M, Cui, S. | | 登録日 | 2020-11-14 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 Orf9b in complex with human TOM70 suggests unusual virus-host interactions.
Nat Commun, 12, 2021
|
|
2RVM
 | |
5M32
 | | Human 26S proteasome in complex with Oprozomib | | 分子名称: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | 著者 | Haselbach, D, Schrader, J, Lambrecht, F, Henneberg, F, Chari, A, Stark, H. | | 登録日 | 2016-10-14 | | 公開日 | 2017-07-05 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Long-range allosteric regulation of the human 26S proteasome by 20S proteasome-targeting cancer drugs.
Nat Commun, 8, 2017
|
|
2RRA
 | | Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA) | | 分子名称: | 5'-R(*GP*AP*AP*GP*AP*A)-3', cDNA FLJ40872 fis, clone TUTER2000283, ... | | 著者 | Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2010-06-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
|
|
5LGN
 | | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | 著者 | Mattevi, A, Ciossani, G. | | 登録日 | 2016-07-07 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration.
J. Med. Chem., 60, 2017
|
|
