5TFB
 
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5TH5
 | | Crystal Structure of QueE from Bacillus subtilis with 6-carboxypterin-5'-deoxyadenosyl ester bound | | 分子名称: | 5'-O-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | 著者 | Grell, T.A.J, Dowling, D.P, Drennan, C.L. | | 登録日 | 2016-09-29 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.407 Å) | | 主引用文献 | 7-Carboxy-7-deazaguanine Synthase: A Radical S-Adenosyl-l-methionine Enzyme with Polar Tendencies.
J. Am. Chem. Soc., 139, 2017
|
|
5TFI
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
6YOA
 | | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family | | 分子名称: | Major pollen allergen Lig v 1, NICKEL (II) ION | | 著者 | Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R. | | 登録日 | 2020-04-14 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family.
Allergy, 75, 2020
|
|
5TG7
 | | OXA-24/40 in Complex with Boronic Acid BA3 | | 分子名称: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ... | | 著者 | Powers, R.A, Werner, J.P, Mitchell, J.M. | | 登録日 | 2016-09-27 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
|
|
7AH8
 | | NF-Y bound to suramin inhibitor | | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, CITRATE ANION, GLYCEROL, ... | | 著者 | Nardone, V, Chaves-Sanjuan, A, Lapi, M, Nardini, M. | | 登録日 | 2020-09-24 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.70001364 Å) | | 主引用文献 | Structural Basis of Inhibition of the Pioneer Transcription Factor NF-Y by Suramin.
Cells, 9, 2020
|
|
6SJM
 | | Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) | | 分子名称: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Chaikuad, A, Pollinger, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-08-13 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences.
Acs Med.Chem.Lett., 10, 2019
|
|
6SHN
 | | Escherichia coli AGPase in complex with FBP. Symmetry C1 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | | 著者 | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | 登録日 | 2019-08-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
|
|
6CLG
 | | 1.35 A MicroED structure of GSNQNNF at 2.4 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.35 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
7KGM
 | | C. rodentium YcbB - ertapenem complex | | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Putative exported protein | | 著者 | Caveney, N.A, Strynadka, N.C.J. | | 登録日 | 2020-10-17 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections.
Antimicrob.Agents Chemother., 65, 2021
|
|
5TH7
 | | Complex of SETD8 with MS453 | | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ... | | 著者 | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-29 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
|
|
7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-29 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
|
|
6CLN
 | | 1.15 A MicroED structure of GSNQNNF at 1.8 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
4Y73
 | | Crystal structure of IRAK4 kinase domain with inhibitor | | 分子名称: | 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Lesburg, C.A. | | 登録日 | 2015-02-13 | | 公開日 | 2015-05-20 | | 最終更新日 | 2015-07-15 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
|
|
7APO
 | | Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | | 分子名称: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ... | | 著者 | le Maire, A, Guee, L, Bourguet, W. | | 登録日 | 2020-10-19 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
|
|
4Y7E
 | | Crystal structure of beta-mannanase from Streptomyces thermolilacinus with mannohexaose | | 分子名称: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | 著者 | Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A. | | 登録日 | 2015-02-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
Febs J., 282, 2015
|
|
5TJG
 | |
5CL3
 | |
5FRC
 | | Structure of urate oxidase prepared by the 'soak-and-freeze' method under 42 bar of oxygen pressure | | 分子名称: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | | 著者 | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | | 登録日 | 2015-12-16 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.443 Å) | | 主引用文献 | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
|
|
6CMS
 | | Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor | | 分子名称: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | 登録日 | 2018-03-06 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
|
|
5TKV
 | | X-RAY CRYSTAL STRUCTURE OF THE "CLOSED" CONFORMATION OF CTP-INHIBITED E. COLI CYTIDINE TRIPHOSPHATE (CTP) SYNTHETASE | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, ... | | 著者 | Baldwin, E.P, Endrizzi, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Human CTP synthase filament structure reveals the active enzyme conformation.
Nat. Struct. Mol. Biol., 24, 2017
|
|
7AK9
 | | Structure of Salmonella TacT3 toxin bound to TacA3 antitoxin C-terminal peptide | | 分子名称: | ABC transporter, Acetyltransferase, DEPHOSPHO COENZYME A | | 著者 | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | 登録日 | 2020-09-30 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
|
|
7AK7
 | | Structure of Salmonella TacT2 toxin bound to TacA2 antitoxin | | 分子名称: | ACETYL COENZYME *A, Acetyltransferase, CHLORIDE ION, ... | | 著者 | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | 登録日 | 2020-09-30 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
|
|
4QJ4
 | | Structure of a fragment of human phospholipase C-beta3 delta472-569, bound to IP3 and in complex with Galphaq | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | | 著者 | Lyon, A.M, Tesmer, J.J.G. | | 登録日 | 2014-06-03 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Molecular mechanisms of phospholipase C beta 3 autoinhibition.
Structure, 22, 2014
|
|
5TM1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide | | 分子名称: | 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-10-12 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.231 Å) | | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
