6RBI
 
 | | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | | 分子名称: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | 著者 | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2019-04-10 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
|
|
5KCE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | | 分子名称: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-06-06 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
|
|
5DDP
 | | L-glutamine riboswitch bound with L-glutamine | | 分子名称: | GLUTAMINE, MAGNESIUM ION, RNA (61-MER), ... | | 著者 | Ren, A, Patel, D.J. | | 登録日 | 2015-08-25 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | | 主引用文献 | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
|
|
7QEO
 | | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class C | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
|
|
5KCN
 | |
6VGC
 | | Crystal Structures of FLAP bound to DG-031 | | 分子名称: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ... | | 著者 | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | 登録日 | 2020-01-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
|
|
8CYE
 | |
5KDN
 | | ZmpB metallopeptidase from Clostridium perfringens | | 分子名称: | 1,2-ETHANEDIOL, F5/8 type C domain protein, ZINC ION | | 著者 | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | | 登録日 | 2016-06-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7OC2
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295 | | 分子名称: | Cyclic 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE-(7-3)-7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE-(7-19)-N-ACETYL-L-CYSTEINE-(8-25)-[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID-()-(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Serine protease NS3, Serine protease subunit NS2B | | 著者 | Huber, S, Heine, A, Steinmetzer, T. | | 登録日 | 2021-04-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
|
|
7O55
 | |
6MWM
 | | Bat coronavirus HKU4 SUD-C | | 分子名称: | Non-structural protein 3 | | 著者 | Staup, A.J, De Silva, I.U, Catt, J.T, Tan, X, Hammond, R.G, Johnson, M.A. | | 登録日 | 2018-10-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the SARS-Unique Domain C From the Bat Coronavirus HKU4.
Nat Prod Commun, 14, 2019
|
|
4YNB
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | 登録日 | 2015-03-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
|
|
5KF1
 | | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, apo form, pH 5 | | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, COENZYME A, ... | | 著者 | Holden, H.M, Thoden, J.B, Dopkins, B.J, tipton, P.A. | | 登録日 | 2016-06-11 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
|
|
5LTV
 | | LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECPETOR PCTC IN COMPLEX WITH GABA | | 分子名称: | ACETATE ION, Chemotactic transducer PctC, GAMMA-AMINO-BUTANOIC ACID, ... | | 著者 | Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T. | | 登録日 | 2016-09-07 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
|
|
6G96
 | | Crystal structure of TacT3 (tRNA acetylating toxin) from Salmonella | | 分子名称: | ACETYL COENZYME *A, Acetyltransferase, BICINE, ... | | 著者 | Grabe, G.J, Rycroft, J.A, Gollan, B, Hall, A, Cheverton, A.M, Larrouy-Maumus, G, Hare, S.A, Helaine, S. | | 登録日 | 2018-04-10 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4766078 Å) | | 主引用文献 | Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection.
Nat Commun, 9, 2018
|
|
6G00
 | | Crystal Structure of a GH8 xylanase from Teredinibacter turnerae | | 分子名称: | 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, SODIUM ION | | 著者 | Fowler, C.A, Davies, G.J, Walton, P.H. | | 登録日 | 2018-03-15 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
6R2V
 | | Arabidopsis NF-Y/CCAAT-box complex | | 分子名称: | FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ... | | 著者 | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | 登録日 | 2019-03-19 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | | 主引用文献 | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
|
|
7ZMJ
 | | SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state | | 分子名称: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ... | | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | | 登録日 | 2022-04-19 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
|
|
4YPV
 | | High-resolution structure of a metagenome-derived esterase Est8 | | 分子名称: | Est8 | | 著者 | Pereira, M.R, Maester, C.T, Macedo Lemos, E, Hyvonen, M, Balan, A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | From a metagenomic source to a high-resolution structure of a novel alkaline esterase.
Appl. Microbiol. Biotechnol., 2017
|
|
8DLK
 | | Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-07-08 | | 公開日 | 2022-08-31 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
|
|
6G27
 | | X-ray structure of NSD3-PWWP1 in complex with compound 5 | | 分子名称: | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
6R2U
 | | Zinc-alpha2-Glycoprotein with a Fluorescent Dansyl C 11 Fatty Acid | | 分子名称: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, AZIDE ION, SULFATE ION, ... | | 著者 | Lau, A.M, Gor, J, Perkins, S.J, Coker, A.R, McDermott, L.C. | | 登録日 | 2019-03-18 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Crystal structure of zinc-alpha 2-glycoprotein in complex with a fatty acid reveals multiple different modes of protein-lipid binding.
Biochem.J., 476, 2019
|
|
6R2Q
 | | Structure of the Mtr complex | | 分子名称: | CALCIUM ION, Cystathionine beta-synthase, Decaheme c-type cytochrome, ... | | 著者 | Clarke, T.A, Edwards, M.J. | | 登録日 | 2019-03-18 | | 公開日 | 2020-04-22 | | 最終更新日 | 2020-05-13 | | 実験手法 | X-RAY DIFFRACTION (2.697 Å) | | 主引用文献 | The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Cell, 181, 2020
|
|
8DLS
 | | Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8) | | 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, Fab 4A8 heavy chain, ... | | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-07-08 | | 公開日 | 2022-08-31 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
|
|
8QKB
 | | Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2023-09-14 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
|
|
