8PCW
 
 | | Structure of Csm6' from Streptococcus thermophilus | | 分子名称: | CRISPR system endoribonuclease Csm6' | | 著者 | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | | 登録日 | 2023-06-11 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.54 Å) | | 主引用文献 | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
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8PE3
 | | Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6) | | 分子名称: | CRISPR system endoribonuclease Csm6', Cyclic hexaadenosine monophosphate (cA6), RNA | | 著者 | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | | 登録日 | 2023-06-13 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
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5MJK
 | | Crystal Structure of Lactococcus lactis Thioredoxin Reductase (FO conformation) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thioredoxin reductase | | 著者 | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | | 登録日 | 2016-12-01 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
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5MI9
 | | Structure of the phosphomimetic mutant of the elongation factor EF-Tu T62E | | 分子名称: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | 登録日 | 2016-11-27 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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5MLE
 | | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ... | | 著者 | Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | | 登録日 | 2016-12-06 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
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5MEV
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21 | | 分子名称: | (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ... | | 著者 | Hargreaves, D. | | 登録日 | 2016-11-16 | | 公開日 | 2017-01-18 | | 最終更新日 | 2017-03-08 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
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5MH4
 | | Crystal Structure of Lactococcus lactis Thioredoxin Reductase (FR conformation) | | 分子名称: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | | 登録日 | 2016-11-23 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
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5N7E
 | | Crystal structure of the Dbl-homology domain of Bcr-Abl in complex with monobody Mb(Bcr-DH_4). | | 分子名称: | Breakpoint cluster region protein, Mb(Bcr-DH_4) | | 著者 | Reckel, S, Reynaud, A, Pojer, F, Hantschel, O. | | 登録日 | 2017-02-20 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.647 Å) | | 主引用文献 | Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase.
Nat Commun, 8, 2017
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8PH4
 | | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | | 著者 | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | | 登録日 | 2023-06-18 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
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5NHW
 | | CRYSTAL STRUCTURE OF THE BIMAGRUMAB Fab | | 分子名称: | GLYCEROL, anti-human ActRII Bimagrumab Fab heavy-chain, anti-human ActRII Bimagrumab Fab light-chain | | 著者 | Rondeau, J.-M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5NEW
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8PJ0
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Georgiou, C, Brenk, R, Espeland, L.O. | | 登録日 | 2023-06-22 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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8OVE
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8OVA
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5LMW
 | | Llama nanobody PorM_02 | | 分子名称: | GLYCEROL, Nanobody | | 著者 | Roche, J, Gaubert, A, Leone, P, Roussel, A. | | 登録日 | 2016-08-01 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5LRE
 | | Crystal structure of Glycogen Phosphorylase b in complex with KS382 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-08-18 | | 公開日 | 2017-05-31 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur J Med Chem, 123, 2016
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8PBO
 | | Deep interactome learning for generative drug design | | 分子名称: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | 登録日 | 2023-06-09 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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8P05
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92 | | 分子名称: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Kraemer, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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5N5S
 | | Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+ | | 分子名称: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase 21 (ALDH21), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S. | | 登録日 | 2017-02-14 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
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8P04
 | | Crystal structure of human CLK1 in complex with Leucettinib-92 | | 分子名称: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | 著者 | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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8OW2
 | | Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938 | | 分子名称: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | 登録日 | 2023-04-26 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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5NHR
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5NIV
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8OL9
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8OO2
 | | ChdA complex with amido-chelocardin | | 分子名称: | 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator | | 著者 | Koehnke, J, Sikandar, A. | | 登録日 | 2023-04-04 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62, 2023
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