3HNH
 
 | | Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate | | 分子名称: | (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Pyrroloquinoline-quinone synthase | | 著者 | Puehringer, S, Schwarzenbacher, R. | | 登録日 | 2009-05-31 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate
Proteins, 78, 2010
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3HML
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3HLX
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1TG2
 | | Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound | | 分子名称: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase | | 著者 | Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C. | | 登録日 | 2004-05-28 | | 公開日 | 2004-11-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1TDW
 | | Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T. | | 分子名称: | FE (III) ION, Phenylalanine-4-hydroxylase | | 著者 | Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C. | | 登録日 | 2004-05-24 | | 公開日 | 2004-11-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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6Q3K
 | | Engineered Human HLA_A2 MHC Class I molecule in complex with NV9 peptide | | 分子名称: | ASN-LEU-VAL-PRO-MET-VAL-ALA-THR-VAL, Beta-2-microglobulin, COBALT (II) ION, ... | | 著者 | Meijers, R, Anjanappa, R, Springer, S, Garcia-Alai, M. | | 登録日 | 2018-12-04 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Engineered Human HLA_A2MHC Class I molecule in complex with NV9 peptide
Sci Immunol, 2019
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8ATL
 | | Discovery of IRAK4 Inhibitor 23 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-08-23 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.464 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8ATN
 | | Discovery of IRAK4 Inhibitor 38 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-08-23 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.171 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | 分子名称: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-08-22 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BR6
 | | Discovery of IRAK4 Inhibitor 40 | | 分子名称: | ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-11-22 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.167 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BR5
 | | Discovery of IRAK4 Inhibitor 41 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-11-22 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BR7
 | | Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839 | | 分子名称: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-11-22 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8GKA
 | | Human TRPV3 tetramer structure, closed conformation | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | 著者 | Lansky, S, Betancourt, J.M, Scheuring, S. | | 登録日 | 2023-03-17 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
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8GKG
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1NZO
 | | The crystal structure of wild type penicillin-binding protein 5 from E. coli | | 分子名称: | BETA-MERCAPTOETHANOL, Penicillin-binding protein 5 | | 著者 | Nicholas, R.A, Krings, S, Tomberg, J, Nicola, G, Davies, C. | | 登録日 | 2003-02-19 | | 公開日 | 2004-01-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex.
J.Biol.Chem., 278, 2003
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6Q3S
 | | Engineered Human HLA_A2 MHC Class I molecule in complex with TCR and SV9 peptide | | 分子名称: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Meijers, R, Anjanappa, R, Springer, S, Garcia-Alai, M. | | 登録日 | 2018-12-04 | | 公開日 | 2019-07-24 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | High-throughput peptide-MHC complex generation and kinetic screenings of TCRs with peptide-receptive HLA-A*02:01 molecules.
Sci Immunol, 4, 2019
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6TDP
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GL dipeptide in the A pocket. | | 分子名称: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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6TDR
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule devoid of peptide (annealed) | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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4EWI
 | | Crystal structure of the NLRP4 Pyrin domain | | 分子名称: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | | 著者 | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | | 登録日 | 2012-04-27 | | 公開日 | 2012-09-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
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6TDO
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket. | | 分子名称: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-09 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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6TDQ
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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6TDS
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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2P6R
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2P6U
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4NY7
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