5P9G
 
 | | Structure of BTK with RN486 | | 分子名称: | 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9M
 | | BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059 | | 分子名称: | 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9I
 | | BTK1 SOAKED WITH IBRUTINIB-Rev | | 分子名称: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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1AWO
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7EYI
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8DHK
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8DYJ
 | | Crystal structure of human methylmalonyl-CoA mutase in complex with ADP and cob(II)alamin | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, COBALAMIN, Methylmalonyl-CoA mutase, ... | | 著者 | Mascarenhas, R.N, Gouda, H, Banerjee, R. | | 登録日 | 2022-08-04 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8DYL
 | | Crystal structure of human methylmalonyl-CoA mutase bound to aquocobalamin | | 分子名称: | COBALAMIN, GLYCEROL, Methylmalonyl-CoA mutase, ... | | 著者 | Mascarenhas, R.N, Gouda, H, Banerjee, R. | | 登録日 | 2022-08-04 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6MAC
 | | Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ... | | 著者 | Goebel, E.J, Thompson, T.B. | | 登録日 | 2018-08-27 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5KJK
 | | SMYD2 in complex with AZ370 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | | 著者 | Ferguson, A. | | 登録日 | 2016-06-20 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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5KJL
 | | SMYD2 in complex with AZ378 | | 分子名称: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | | 著者 | Ferguson, A. | | 登録日 | 2016-06-20 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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5KJN
 | | SMYD2 in complex with AZ506 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ... | | 著者 | Ferguson, A. | | 登録日 | 2016-06-20 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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5KJM
 | | SMYD2 in complex with AZ931 | | 分子名称: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | 著者 | Ferguson, A. | | 登録日 | 2016-06-20 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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7OLY
 | | Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ... | | 著者 | Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L. | | 登録日 | 2021-05-20 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.265 Å) | | 主引用文献 | Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022
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6N9P
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6DI1
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND | | 分子名称: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Jiang, X. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-17 | | 最終更新日 | 2018-10-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
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6DI0
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | | 分子名称: | 6-(cyclohexylamino)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | MOCHALKIN, I. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
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7R60
 | | BTK in complex with 18A | | 分子名称: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2021-06-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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7R61
 | | BTK in complex with 25A | | 分子名称: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2021-06-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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6O3V
 | | Crystal structure for RVA-VP3 | | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Protein VP3, ... | | 著者 | Kumar, D, Yu, X, Wang, Z, Hu, L, Prasad, V. | | 登録日 | 2019-02-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | 2.7 angstrom cryo-EM structure of rotavirus core protein VP3, a unique capping machine with a helicase activity.
Sci Adv, 6, 2020
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7KDT
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8HIO
 | | Cryo-EM structure of the Cas12m2-crRNA binary complex | | 分子名称: | Cas12m2, MAGNESIUM ION, RNA (56-MER), ... | | 著者 | Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O. | | 登録日 | 2022-11-21 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme.
Nat.Struct.Mol.Biol., 30, 2023
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8HHM
 | | Cryo-EM structure of the Cas12m2-crRNA-target DNA ternary complex intermediate state | | 分子名称: | Cas12m2, DNA (36-MER), MAGNESIUM ION, ... | | 著者 | Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O. | | 登録日 | 2022-11-16 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme.
Nat.Struct.Mol.Biol., 30, 2023
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8HHL
 | | Cryo-EM structure of the Cas12m2-crRNA-target DNA full R-loop complex | | 分子名称: | Cas12m2, MAGNESIUM ION, NTS (36-MER), ... | | 著者 | Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O. | | 登録日 | 2022-11-16 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | | 主引用文献 | Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme.
Nat.Struct.Mol.Biol., 30, 2023
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6B9X
 | | Crystal structure of Ragulator | | 分子名称: | Hepatitis B virus x interacting protein, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ... | | 著者 | SU, M.-Y, Hurley, J.H. | | 登録日 | 2017-10-11 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Hybrid Structure of the RagA/C-Ragulator mTORC1 Activation Complex.
Mol. Cell, 68, 2017
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