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8XU4
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The Crystal Structure of MAPK2 from Biortus.
分子名称: MALONIC ACID, MAP kinase-activated protein kinase 2
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z.
登録日2024-01-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The Crystal Structure of MAPK2 from Biortus.
To Be Published
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
分子名称: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Amano, Y, Tateishi, Y.
登録日2023-11-21
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
8ELZ
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HRAS R97M Crystal Form 1
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8EDY
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BU of 8edy by Molmil
KRAS4b A146T 1-185 bound to GDP
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
著者Betts, L, Rossman, K.L.
登録日2022-09-06
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献KRAS4b A146T 1-185 bound to GDP
To Be Published
5YHL
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BU of 5yhl by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative
分子名称: 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-28
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
8XN6
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BU of 8xn6 by Molmil
The Crystal Structure of GSK3b from Biortus.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ...
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
登録日2023-12-29
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of GSK3b from Biortus.
To Be Published
6MZA
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BU of 6mza by Molmil
Solution NMR structure of a putative thioredoxin (trxA) in the reduced state from Rickettsia prowazekii, the etiological agent responsible for typhus. Seattle Structural Genomics Center for Infectious Disease target RiprA.00029.a
分子名称: Thioredoxin
著者Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-11-04
公開日2018-12-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of reduced Rickettsia prowazekii thioredoxin.
To Be Published
6ICG
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Grb2 SH2 domain in phosphopeptide free form
分子名称: GLYCEROL, Growth factor receptor-bound protein 2, SULFATE ION
著者Hosoe, Y, Numoto, N, Inaba, S, Ogawa, S, Morii, H, Abe, R, Ito, N, Oda, M.
登録日2018-09-06
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural and functional properties of Grb2 SH2 dimer in CD28 binding.
Biophys Physicobio., 16, 2019
6XX5
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Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
分子名称: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
5YJK
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BU of 5yjk by Molmil
Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative
分子名称: (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7
著者Sugawara, H.
登録日2017-10-11
公開日2017-12-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
8ELS
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BU of 8els by Molmil
HRAS R97A Crystal Form 1 R-state
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Davis, D, Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
6N4U
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MicroED structure of Proteinase K at 2.75A resolution from a single milled crystal.
分子名称: CALCIUM ION, Proteinase K, SULFATE ION
著者Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T.
登録日2018-11-20
公開日2019-02-06
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (2.75 Å)
主引用文献Collection of Continuous Rotation MicroED Data from Ion Beam-Milled Crystals of Any Size.
Structure, 27, 2019
8XPZ
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BU of 8xpz by Molmil
The Crystal Structure of TTBK1 from Biortus.
分子名称: 1,2-ETHANEDIOL, Tau-tubulin kinase 1
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Ni, C.
登録日2024-01-04
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Crystal Structure of TTBK1 from Biortus.
To Be Published
8P6Q
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BU of 8p6q by Molmil
Racemic structure of TNFR1 cysteine-rich domain
分子名称: D-TNFR-1 CRD2, SULFATE ION, Tumor necrosis factor-binding protein 1
著者Lander, A.J, Jin, Y, Luk, L.Y.P.
登録日2023-05-28
公開日2024-01-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and d-Peptide Ligand Discovery.
Acs Bio Med Chem Au, 4, 2024
8EFJ
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A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
分子名称: (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Park, H, Feng, Y.
登録日2022-09-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
6N1O
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Oxidized rat cytochrome c mutant (S47E)
分子名称: 1,2-ETHANEDIOL, Cytochrome c, somatic, ...
著者Huttemann, M, Edwards, B.F.P.
登録日2018-11-09
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity.
Faseb J., 33, 2019
8EJO
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BU of 8ejo by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Yin, L, Shi, K, Aihara, H.
登録日2022-09-18
公開日2023-09-20
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
8EJP
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Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Yin, L, Shi, K, Aihara, H.
登録日2022-09-18
公開日2023-09-20
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
6INL
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Crystal structure of CDK2 IN complex with Inhibitor CVT-313
分子名称: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), Cyclin-dependent kinase 2
著者Talapati, S.R, Krishnamurthy, N.R.
登録日2018-10-25
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313.
Acta Crystallogr.,Sect.F, 76, 2020
8EER
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BU of 8eer by Molmil
KRAS4B A146V 1-185 bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 4b of the GTPase KRAS
著者Betts, L, Rossman, K.L.
登録日2022-09-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献KRAS4B A146V 1-185 bound to GDP
To Be Published
8EIE
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KRAS4b K117N 1-185 bound to GNP-Mg2+
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Betts, L, Rossman, K.L.
登録日2022-09-14
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A crystallographic view of the fast-cycling KRAS mutant, K117N
To Be Published
6XVE
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Engineered beta-lactoglobulin: variant F105L
分子名称: Beta-lactoglobulin
著者Loch, J.I, Gotkowski, M, Lewinski, K.
登録日2020-01-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
8Y1R
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in situ room temperature Laue crystallography
分子名称: Lysozyme C
著者Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y.
登録日2024-01-25
公開日2024-02-07
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single pulse data collection with an X-ray chopper at in situ room temperature Laue crystallography beamline BL03HB
Nucl Instrum Methods Phys Res A, 1069, 2024
5YCJ
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Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) imidazole-ligand
分子名称: Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
6N4T
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Crystal structure of Matriptase1 in complex with a peptidomimetic benzothiazole
分子名称: ETHANOL, GLUTATHIONE, MAGNESIUM ION, ...
著者Campobasso, N.
登録日2018-11-20
公開日2019-10-02
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Discovery and Development of TMPRSS6 Inhibitors Modulating Hepcidin Levels in Human Hepatocytes.
Cell Chem Biol, 26, 2019

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件を2024-10-09に公開中

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