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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6RVO
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6ZZ4
 | | Crystal structure of the PTPN2 C216G mutant | | 分子名称: | PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2 | | 著者 | Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F. | | 登録日 | 2020-08-03 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy.
Protein Sci., 31, 2022
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1J2O
 | | Structure of FLIN2, a complex containing the N-terminal LIM domain of LMO2 and ldb1-LID | | 分子名称: | Fusion of Rhombotin-2 and LIM domain-binding protein 1, ZINC ION | | 著者 | Deane, J.E, Mackay, J.P, Kwan, A.H, Sum, E.Y, Visvader, J.E, Matthews, J.M. | | 登録日 | 2003-01-08 | | 公開日 | 2003-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4
EMBO J., 22, 2003
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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 | 2024-10-16 | | 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 | 2024-10-09 | | 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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6SEL
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6SVA
 | | Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator. | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R. | | 登録日 | 2019-09-18 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
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8RGY
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged | | 分子名称: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | 登録日 | 2023-12-14 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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8RGE
 | | Serial synchrotron in plate room temperature structure of Lysozyme. | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Thompson, A.J, Hough, M.A, Sanchez-Weatherby, J, Williams, L.J, Sandy, J, Worrall, J.A.R. | | 登録日 | 2023-12-13 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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8RGS
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa | | 分子名称: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | 登録日 | 2023-12-14 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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8RGW
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged | | 分子名称: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | 登録日 | 2023-12-14 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
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6RZP
 | | Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. | | 登録日 | 2019-06-13 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
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1A61
 | | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | | 分子名称: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | 登録日 | 1998-03-05 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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1A46
 | | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | | 分子名称: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | 登録日 | 1998-02-11 | | 公開日 | 1998-05-27 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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1P7A
 | | Solution Structure of the Third Zinc Finger from BKLF | | 分子名称: | Kruppel-like factor 3, ZINC ION | | 著者 | Simpson, R.J.Y, Cram, E.D, Czolij, R, Matthews, J.M, Crossley, M, Mackay, J.P. | | 登録日 | 2003-04-30 | | 公開日 | 2003-12-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | CCHX zinc finger derivatives retain the ability to bind Zn(II) and mediate protein-DNA interactions.
J.Biol.Chem., 278, 2003
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1MM3
 | | Solution structure of the 2nd PHD domain from Mi2b with C-terminal loop replaced by corresponding loop from WSTF | | 分子名称: | Mi2-beta(Chromodomain helicase-DNA-binding protein 4) and transcription factor WSTF, ZINC ION | | 著者 | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | | 登録日 | 2002-09-02 | | 公開日 | 2003-07-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
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1M3V
 | | FLIN4: Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4 | | 分子名称: | ZINC ION, fusion of the LIM interacting domain of ldb1 and the N-terminal LIM domain of LMO4 | | 著者 | Deane, J.E, Mackay, J.P, Kwan, A.H.Y, Sum, E.Y, Visvader, J.E, Matthews, J.M. | | 登録日 | 2002-06-30 | | 公開日 | 2003-05-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4
EMBO J., 22, 2003
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5FB6
 | | Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering | | 分子名称: | Insulin Chain A, Insulin Chain B | | 著者 | Roedig, P, Duman, R, Sanchez-Weatherby, J, Vartiainen, I, Burkhardt, A, Warmer, M, David, C, Wagner, A, Meents, A. | | 登録日 | 2015-12-14 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering.
J.Appl.Crystallogr., 49, 2016
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1LIQ
 | | Non-native Solution Structure of a fragment of the CH1 domain of CBP | | 分子名称: | CREB Binding Protein, ZINC ION | | 著者 | Sharpe, B.K, Matthews, J.M, Kwan, A.H.Y, Newton, A, Gell, D.A, Crossley, M, Mackay, J.P. | | 登録日 | 2002-04-18 | | 公開日 | 2002-05-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A New Zinc Binding Fold Underlines the Versatility of Zinc Binding Modules in Protein Evolution
Structure, 10, 2002
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1MM2
 | | Solution structure of the 2nd PHD domain from Mi2b | | 分子名称: | Mi2-beta, ZINC ION | | 著者 | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | | 登録日 | 2002-09-02 | | 公開日 | 2003-07-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
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6PTL
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4ZH5
 | | Crystal structure of Endoglucanase from Perinereis brevicirris with Cellobiose | | 分子名称: | CALCIUM ION, CHLORIDE ION, Endoglucanase, ... | | 著者 | Fewings, R.S, Swiderska, A, Sanchez-Weatherby, J, Sorensen, T.-M, Schnorr, K.M, Kneale, G.G, McGeehan, J.E. | | 登録日 | 2015-04-24 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Biophysical and structural characterisation of the endoglucanase from Perinereis brevicirris
To Be Published
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6Q42
 | | Crystal Structure of Human Pancreatic Phospholipase A2 | | 分子名称: | CHLORIDE ION, Phospholipase A2 | | 著者 | Saul, F, Haouz, A, Lambeau, G, Theze, J. | | 登録日 | 2018-12-05 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | PLA2G1B is involved in CD4 anergy and CD4 lymphopenia in HIV-infected patients.
J.Clin.Invest., 130, 2020
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