7FSA
| Structure of liver pyruvate kinase in complex with allosteric modulator 24 | 分子名称: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FV6
| PanDDA analysis group deposition -- PHIP in complex with Z1334218055 | 分子名称: | N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7FUS
| PanDDA analysis group deposition -- PHIP in complex with Z44602363 | 分子名称: | N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7FS1
| Structure of liver pyruvate kinase in complex with allosteric modulator 11 | 分子名称: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.863 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FUU
| PanDDA analysis group deposition -- PHIP in complex with Z445977856 | 分子名称: | N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7BRS
| E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02 | 分子名称: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | 著者 | Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y. | 登録日 | 2020-03-30 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
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7PER
| Model of the inner ring of the human nuclear pore complex | 分子名称: | Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ... | 著者 | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | 登録日 | 2021-08-11 | 公開日 | 2021-10-20 | 最終更新日 | 2021-11-24 | 実験手法 | ELECTRON MICROSCOPY (35 Å) | 主引用文献 | The cellular environment shapes the nuclear pore complex architecture. Nature, 598, 2021
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7LVT
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7FV7
| PanDDA analysis group deposition -- PHIP in complex with Z1929967066 | 分子名称: | (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7FS3
| Structure of liver pyruvate kinase in complex with allosteric modulator 15 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FV8
| PanDDA analysis group deposition -- PHIP in complex with Z964297186 | 分子名称: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7FRV
| Structure of liver pyruvate kinase in complex with allosteric modulator 3 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4'-sulfonyldi(benzene-1,2-diol), MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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2ZTK
| Crystal structure of homocitrate synthase from Thermus thermophilus complexed with homocitrate | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, COPPER (II) ION, Homocitrate synthase | 著者 | Okada, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | 登録日 | 2008-10-06 | 公開日 | 2009-10-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Mechanism of substrate recognition and insight into feedback inhibition of homocitrate synthase from Thermus thermophilus J.Biol.Chem., 285, 2010
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7FVD
| PanDDA analysis group deposition -- PHIP in complex with Z1424453050 | 分子名称: | 4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7FRY
| Structure of liver pyruvate kinase in complex with allosteric modulator 6 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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2ZU2
| complex structure of CoV 229E 3CL protease with EPDTC | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, zinc(II)hydrogensulfide | 著者 | Lee, C.C, Wang, A.H.-J. | 登録日 | 2008-10-12 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds J.Biol.Chem., 284, 2009
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2O4N
| Crystal Structure of HIV-1 Protease (TRM Mutant) in Complex with Tipranavir | 分子名称: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | 著者 | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | 登録日 | 2006-12-04 | 公開日 | 2006-12-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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7FVE
| PanDDA analysis group deposition -- PHIP in complex with Z488932160 | 分子名称: | 4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7BER
| SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly) | 分子名称: | Myeloid differentiation primary response protein MyD88 | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | 登録日 | 2020-12-24 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography. Nat Commun, 12, 2021
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7FS0
| Structure of liver pyruvate kinase in complex with allosteric modulator 8 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.412 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS7
| Structure of liver pyruvate kinase in complex with allosteric modulator 20 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.774 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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2O6K
| Crystal structure of UPF0346 from Staphylococcus aureus. Northeast Structural Genomics target ZR218. | 分子名称: | UPF0346 protein MW1311 | 著者 | Benach, J, Abashidze, M, Seetharaman, J, Wang, D, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-12-07 | 公開日 | 2006-12-26 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of UPF0346 from Staphylococcus aureus. Northeast Structural Genomics target ZR218. To be Published
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7FS5
| Structure of liver pyruvate kinase in complex with allosteric modulator 17 | 分子名称: | (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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3HOK
| X-ray Crystal Structure of Human Heme Oxygenase-1 with (2R, 4S)-2-[2-(4-Chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: A Novel, Inducible Binding Mode | 分子名称: | 2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Rahman, M.N, Jia, Z. | 登録日 | 2009-06-02 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | X-ray crystal structure of human heme oxygenase-1 with (2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: a novel, inducible binding mode. J.Med.Chem., 52, 2009
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7FRZ
| Structure of liver pyruvate kinase in complex with allosteric modulator 7 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.085 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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