7YUZ
 
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | 分子名称: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7AJA
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7AIR
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 2) | | 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, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | 登録日 | 2020-09-28 | | 公開日 | 2021-06-02 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7TB2
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7TBT
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7AJW
 | | Structure of DYRK1A in complex with compound 46 | | 分子名称: | 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-09-29 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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6SEI
 | | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease | | 分子名称: | CALCIUM ION, DNA (32-MER), Structure-specific endonuclease subunit SLX1, ... | | 著者 | Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M. | | 登録日 | 2019-07-30 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease.
Nucleic Acids Res., 47, 2019
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7T8R
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7TC4
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7AIQ
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 4, ... | | 著者 | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | 登録日 | 2020-09-28 | | 公開日 | 2021-06-02 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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6MK0
 | | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | | 分子名称: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | van Agthoven, J, Arnaout, M.A. | | 登録日 | 2018-09-24 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.005 Å) | | 主引用文献 | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations
Acs Pharmacol Transl Sci, 2, 2019
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6MLJ
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S70A mutant from Salmonella typhimurium complexed with arginine | | 分子名称: | ACETATE ION, ARGININE, Lysine/arginine/ornithine transport protein | | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | 登録日 | 2018-09-27 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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5MOP
 | | Joint X-ray/neutron structure of cationic trypsin in its apo form | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-14 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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7T8M
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4XQU
 | | Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN | | 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, Hemagglutinin HA1, ... | | 著者 | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | | 登録日 | 2015-01-20 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
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6PK6
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | 分子名称: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | to be published
To Be Published
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4XUA
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue | | 分子名称: | 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-01-25 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
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7OH1
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7TFB
 | | P. polymyxa GS(14)-Q-GlnR peptide | | 分子名称: | GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ... | | 著者 | Travis, B.A, Peck, J, Schumacher, M.A. | | 登録日 | 2022-01-06 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.28 Å) | | 主引用文献 | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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5MRJ
 | | Crystal structure of Endo-1,4-beta-xylanase-like protein from Acremonium chrysogenum | | 分子名称: | Beta-xylanase, SULFATE ION | | 著者 | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | | 登録日 | 2016-12-23 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of Endo-1,4-beta-xylanase-like protein from Acremonium chrysogenum
To Be Published
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7OH0
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8FEJ
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8TR5
 | | Cryo-EM structure of the rat P2X7 receptor in the apo closed state | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, P2X purinoceptor 7, ... | | 著者 | Oken, A.C, Lisi, N.E, Krishnamurthy, I, McCarthy, A.E, Godsey, M.H, Glasfeld, A, Mansoor, S.E. | | 登録日 | 2023-08-09 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | | 主引用文献 | High-affinity agonism at the P2X 7 receptor is mediated by three residues outside the orthosteric pocket.
Nat Commun, 15, 2024
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6YH3
 | | tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 分子名称: | 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Nguyen, A, Heine, A, Klebe, G. | | 登録日 | 2020-03-28 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
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6SJ9
 | | Proteasome accessory factor B/C (PafBC) of Arthrobacter aurescens | | 分子名称: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, Proteasome accessory factor B/C (PafBC), ... | | 著者 | Mueller, A.U, Leibundgut, M, Ban, N, Weber-Ban, E. | | 登録日 | 2019-08-13 | | 公開日 | 2019-10-16 | | 最終更新日 | 2019-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and functional implications of WYL domain-containing bacterial DNA damage response regulator PafBC.
Nat Commun, 10, 2019
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