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
|
|
6SQL
 | | Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide | | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2019-09-04 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.
J.Med.Chem., 63, 2020
|
|
6CO8
 | | Structure of Zika virus at a resolution of 3.1 Angstrom | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | | 著者 | Sevvana, M, Long, F, Miller, A.J, Klose, T, Buda, G, Sun, L, Kuhn, R.J, Rossmann, M.R. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Refinement and Analysis of the Mature Zika Virus Cryo-EM Structure at 3.1 angstrom Resolution.
Structure, 26, 2018
|
|
6I1B
 | |
4Y3W
 | | Endothiapepsin in complex with fragment 35 | | 分子名称: | (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
5TMR
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate | | 著者 | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-10-13 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.296 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
|
|
7ATP
 | |
5TN1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | | 分子名称: | (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-10-13 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.055 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
|
|
4Y9M
 | | PA3825-EAL Metal-Free-Apo Structure | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
|
|
6P9G
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | | 分子名称: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | | 著者 | Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-10 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
|
|
7AS6
 | | 2.0 angstrom structure of plant Extended Synaptotagmin 1, C2A domain | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Benavente, J.L, Albert, A. | | 登録日 | 2020-10-27 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites.
Life Sci Alliance, 4, 2021
|
|
6SAV
 | | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, CALCIUM ION, ... | | 著者 | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | | 登録日 | 2019-07-17 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
|
|
5K2H
 | |
6SBM
 | | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ... | | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-07-21 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
To Be Published
|
|
7B5U
 | | RCK_C domain dimer of S.agalactiae BusR in complex with c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GntR family transcriptional regulator | | 著者 | Bandera, A.M, Witte, G. | | 登録日 | 2020-12-07 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
|
|
6SSL
 | |
5BY6
 | | Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | 著者 | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | | 登録日 | 2015-06-10 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
|
|
7B5T
 | |
3FXU
 | | Crystal structure of TsaR in complex with its effector p-toluenesulfonate | | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | 著者 | Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I. | | 登録日 | 2009-01-21 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
|
|
4YE5
 | | The crystal structure of a peptidoglycan synthetase from Bifidobacterium adolescentis ATCC 15703 | | 分子名称: | ACETATE ION, GLYCEROL, Peptidoglycan synthetase penicillin-binding protein 3 | | 著者 | Cuff, M, Tan, K, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-02-23 | | 公開日 | 2015-03-18 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | The crystal structure of a peptidoglycan synthetase from Bifidobacterium adolescentis ATCC 15703
To Be Published
|
|
7KSC
 | | Crystal structure of Pun g 1.0101 | | 分子名称: | Non-specific lipid-transfer protein, SULFATE ION | | 著者 | Pote, S, O'Malley, A, Gawlicka-Chruszcz, A, Tuppo, L, Ciardiello, M.A, Chruszcz, M. | | 登録日 | 2020-11-21 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Characterization of Act c 10.0101 and Pun g 1.0101-Allergens from the Non-Specific Lipid Transfer Protein Family.
Molecules, 26, 2021
|
|
5JX7
 | | Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase | | 分子名称: | Arsenic methyltransferase, CALCIUM ION | | 著者 | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Sankaran, B, Rosen, B.P. | | 登録日 | 2016-05-12 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase
To be Published
|
|
3G8T
 | | Crystal structure of the G33A mutant Bacillus anthracis glmS ribozyme bound to GlcN6P | | 分子名称: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, RNA (5'-R(*AP*(A2M)P*GP*CP*GP*CP*CP*AP*GP*AP*AP*CP*U)-3'), ... | | 著者 | Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D. | | 登録日 | 2009-02-12 | | 公開日 | 2009-11-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
|
|
5U41
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 16 | | 分子名称: | 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | | 著者 | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8QOG
 | | Cryo-EM structure of the yeast SPT-Orm2-Monomer complex | | 分子名称: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ORM2 isoform 1, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Schaefer, J, Koerner, C, Moeller, A, Froehlich, F. | | 登録日 | 2023-09-28 | | 公開日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The structure of the Orm2-containing serine palmitoyltransferase complex reveals distinct inhibitory potentials of yeast Orm proteins.
Cell Rep, 43, 2024
|
|
