8SVO
 
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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5MMP
 | | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | | 分子名称: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | | 登録日 | 2016-12-12 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
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5K3H
 | | Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-II | | 分子名称: | Acyl-coenzyme A oxidase | | 著者 | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | | 登録日 | 2016-05-19 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8CQG
 | | Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis | | 分子名称: | 1,2-ETHANEDIOL, Alpha-amylase, CALCIUM ION, ... | | 著者 | Skagseth, S, Lund, B.A, Griese, J.J, van der Ent, F, Aqvist, J. | | 登録日 | 2023-03-06 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-07-12 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Computational design of the temperature optimum of an enzyme reaction.
Sci Adv, 9, 2023
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6FL8
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | | 分子名称: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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5MB1
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2,4,6-Trimethylphenylsulfonamide-N-methyl-L-fucopyranoside | | 分子名称: | CALCIUM ION, CITRATE ANION, Fucose-binding lectin PA-IIL, ... | | 著者 | Sommer, R, Imberty, A, Titz, A, Varrot, A. | | 登録日 | 2016-11-07 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Glycomimetic, Orally Bioavailable LecB Inhibitors Block Biofilm Formation of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 140, 2018
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6EXN
 | | Post-catalytic P complex spliceosome with 3' splice site docked | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Intron lariat: UBC4 RNA, ... | | 著者 | Wilkinson, M.E, Fica, S.M, Galej, W.P, Norman, C.M, Newman, A.J, Nagai, K. | | 登録日 | 2017-11-08 | | 公開日 | 2018-01-17 | | 最終更新日 | 2020-10-07 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Postcatalytic spliceosome structure reveals mechanism of 3'-splice site selection.
Science, 358, 2017
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6ESM
 | | Crystal structure of MMP9 in complex with inhibitor BE4. | | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | 登録日 | 2017-10-23 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.104 Å) | | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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5MBW
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8SWH
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6F4L
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6XZ1
 | | Conjugate of the HECT domain of HUWE1 with ubiquitin | | 分子名称: | HECT, UBA and WWE domain containing 1, isoform CRA_a, ... | | 著者 | Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S. | | 登録日 | 2020-01-31 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
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6EU6
 | | Sensor Amt Protein | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMMONIUM ION, Ammonium transporter, ... | | 著者 | Pflueger, T, Hernandez, C, Andrade, S.L.A. | | 登録日 | 2017-10-28 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Signaling ammonium across membranes through an ammonium sensor histidine kinase.
Nat Commun, 9, 2018
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4XMX
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8CPI
 | | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | | 分子名称: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-02 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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6RSF
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6S17
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain
To be published
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8HPJ
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6EVK
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6S18
 | | Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol | | 分子名称: | Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL | | 著者 | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | | 登録日 | 2019-06-18 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
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4XPZ
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5MV6
 | | Structure of deformed wing virus, a honeybee pathogen | | 分子名称: | URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ... | | 著者 | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | | 登録日 | 2017-01-15 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5JT1
 | | The 3D structure of Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the oxidized state at 1.35 Angstrom resolution | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, HYDROSULFURIC ACID, ... | | 著者 | Marques, M.C, Pereira, I.A.C, Matias, P.M. | | 登録日 | 2016-05-09 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Nat. Chem. Biol., 13, 2017
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4XRR
 | | Crystal structure of cals8 from micromonospora echinospora (P294S mutant) | | 分子名称: | CalS8, GLYCEROL | | 著者 | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-01-21 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis.
J. Biol. Chem., 290, 2015
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8EN0
 | | Structure of GII.17 norovirus in complex with Nanobody 7 | | 分子名称: | Capsid protein VP1, Nanobody 7 | | 著者 | Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G. | | 登録日 | 2022-09-28 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
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