7UWY
 
 | | NMR solution structure of the De novo designed small beta-barrel protein 29_bp_sh3 | | 分子名称: | De novo designed small beta-barrel protein 29_bp_sh3 | | 著者 | Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D. | | 登録日 | 2022-05-04 | | 公開日 | 2023-03-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7UWZ
 | | NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3 | | 分子名称: | De novo designed small beta-barrel protein 33_bp_sh3 | | 著者 | Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D. | | 登録日 | 2022-05-04 | | 公開日 | 2023-03-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3U4G
 | | The Structure of CobT from Pyrococcus horikoshii | | 分子名称: | ACETIC ACID, NaMN:DMB phosphoribosyltransferase, SULFATE ION | | 著者 | Cuff, M.E, Evdokimova, E, Mursleen, A, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2011-10-07 | | 公開日 | 2011-12-21 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Structure of CobT from Pyrococcus horikoshii
TO BE PUBLISHED
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4WGI
 | | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | | 分子名称: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | | 著者 | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | | 登録日 | 2014-09-18 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
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6H6E
 | | PTC3 holotoxin complex from Photorhabdus luminecens in prepore state (TcdA1, TcdB2, TccC3) | | 分子名称: | TcdA1, TcdB2,TccC3 | | 著者 | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | | 登録日 | 2018-07-27 | | 公開日 | 2018-10-03 | | 最終更新日 | 2018-11-14 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
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6H6G
 | | Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region | | 分子名称: | TcdB2,TccC3 | | 著者 | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | | 登録日 | 2018-07-27 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.004 Å) | | 主引用文献 | Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
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6H6F
 | | PTC3 holotoxin complex from Photorhabdus luminiscens - Mutant TcC-D651A | | 分子名称: | TcdA1, TcdB2,TccC3,TccC3 | | 著者 | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | | 登録日 | 2018-07-27 | | 公開日 | 2018-10-03 | | 最終更新日 | 2018-11-14 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
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2YAL
 | | SinR, Master Regulator of biofilm formation in Bacillus subtilis | | 分子名称: | HTH-TYPE TRANSCRIPTIONAL REGULATOR SINR, NICKEL (II) ION | | 著者 | Colledge, V.L, Fogg, M.J, Levdikov, V.M, Leech, A, Dodson, E.J, Wilkinson, A.J. | | 登録日 | 2011-02-23 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure and Organisation of Sinr, the Master Regulator of Biofilm Formation in Bacillus Subtilis.
J.Mol.Biol., 411, 2011
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2RVC
 | | Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase | | 分子名称: | Interferon-inducible and double-stranded-dependent eIF-2kinase | | 著者 | Lee, A, Park, C, Park, J, Kwon, M, Choi, Y, Kim, K, Choi, B, Lee, J. | | 登録日 | 2015-07-08 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.
Nucleic Acids Res., 44, 2016
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6ZGC
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) | | 分子名称: | Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ... | | 著者 | Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2020-06-18 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
JCI Insight, 6, 2021
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2ESE
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2ES5
 | | Structure of the SRE RNA | | 分子名称: | 5'-R(*GP*GP*AP*GP*AP*GP*GP*CP*UP*CP*UP*GP*GP*CP*AP*GP*CP*UP*UP*UP*UP*CP*C)-3' | | 著者 | Allain, F.H.T. | | 登録日 | 2005-10-25 | | 公開日 | 2006-01-24 | | 最終更新日 | 2022-03-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Shape-specific recognition in the structure of the Vts1p SAM domain with RNA.
Nat.Struct.Mol.Biol., 13, 2006
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6ICI
 | | Crystal structure of human MICAL3 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3 | | 著者 | Hwang, K.Y, Kim, J.S. | | 登録日 | 2018-09-06 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3.
Iucrj, 7, 2020
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | 分子名称: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | 分子名称: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIR
 | | Crystal structure of IRAK4 in complex with compound 11 | | 分子名称: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIT
 | | Crystal structure of IRAK4 in complex with compound 14 | | 分子名称: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIU
 | | Crystal structure of IRAK4 in complex with compound 30 | | 分子名称: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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7UHW
 | | Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 120 K | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | 著者 | Plapp, B.V, Gakhar, L. | | 登録日 | 2022-03-27 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
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7UHX
 | | Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | 著者 | Plapp, B.V, Gakhar, L. | | 登録日 | 2022-03-27 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
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7UHV
 | | Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 50 K | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | 著者 | Plapp, B.V, Gakhar, L. | | 登録日 | 2022-03-27 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
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4TSM
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5D8J
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8EF3
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8EE8
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