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4Y46
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Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
分子名称: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10
著者Park, H.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YO7
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Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-03-11
公開日2015-03-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
To be published
8XEJ
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Cryo-EM structure of human XKR8-basigin complex in lipid nanodisc
分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab heavy chain, Fab light chain, ...
著者Sakuragi, T.S, Kanai, R.K, Kikkawa, M.K, Toyoshima, C.T, Nagata, S.N.
登録日2023-12-12
公開日2024-02-28
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献The role of the C-terminal tail region as a plug to regulate XKR8 lipid scramblase.
J.Biol.Chem., 300, 2024
7RXP
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Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXI
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Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
5MRD
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Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M.
登録日2016-12-22
公開日2017-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
7RXL
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Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
9B3S
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BU of 9b3s by Molmil
Crystal structure of casein kinase 1 delta 1 with tethered phosphorylated tail
分子名称: Casein kinase I isoform delta
著者Harold, R.L, Yaitanes, N, Tripathi, S.T, Partch, C.L.
登録日2024-03-20
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isoform-specific C-terminal phosphorylation drives autoinhibition of Casein kinase 1.
Proc.Natl.Acad.Sci.USA, 121, 2024
5H0Q
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Crystal structure of lipid binding protein Nakanori at 1.5A
分子名称: Lipid binding protein
著者Makino, A, Abe, M, Ishitsuka, R, Murate, M, Kishimoto, T, Sakai, S, Hullin-Matsuda, F, Shimada, Y, Inaba, T, Miyatake, H, Tanaka, H, Kurahashi, A, Pack, C.G, Kasai, R.S, Kubo, S, Schieber, N.L, Dohmae, N, Tochio, N, Hagiwara, K, Sasaki, Y, Aida, Y, Fujimori, F, Kigawa, T, Nishikori, K, Parton, R.G, Kusumi, A, Sako, Y, Anderluh, G, Yamashita, M, Kobayashi, T, Greimel, P, Kobayashi, T.
登録日2016-10-06
公開日2016-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献A novel sphingomyelin/cholesterol domain-specific probe reveals the dynamics of the membrane domains during virus release and in Niemann-Pick type C
FASEB J., 31, 2017
8S60
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Tankyrase 2 in complex with a quinazolin-4-one inhibitor
分子名称: 8-nitro-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ...
著者Bosetti, C, Paakkonen, J, Lehtio, L.
登録日2024-02-26
公開日2025-03-12
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Substitutions at the C-8 position of quinazolin-4-ones improve the potency of nicotinamide site binding tankyrase inhibitors.
Eur.J.Med.Chem., 288, 2025
8J29
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Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Short-chain dehydrogenase/reductase SDR
著者Ma, Q, Liu, C.
登録日2023-04-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus
To Be Published
7SAG
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BU of 7sag by Molmil
Solution NMR structure of barrettide C
分子名称: Barrettide C
著者Payne, C.D, Rosengren, K.J.
登録日2021-09-22
公開日2022-01-12
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Barrettides: A Peptide Family Specifically Produced by the Deep-Sea Sponge Geodia barretti .
J.Nat.Prod., 84, 2021
6XVN
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Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 1
分子名称: Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A, Plaza-Garrido, M.
登録日2020-01-22
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 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
8VFK
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Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT)
分子名称: CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFN
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Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFW
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Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT)
分子名称: CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
7YAN
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BU of 7yan by Molmil
UDP-glucuronosyltransferase2B17 C-terminal domain
分子名称: L(+)-TARTARIC ACID, UDP-glucuronosyltransferase 2B17
著者Wang, C.Y, Zhang, L.
登録日2022-06-28
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献UDP-glucuronosyltransferase2B17 C-terminal domain
To Be Published
6XVO
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Crystal structure of the intertwined dimer of the c-Src SH3 domain without ATCUN motif
分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
著者Camara-Artigas, A, Plaza-Garrido, M.
登録日2020-01-22
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 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
8VG5
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Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC
分子名称: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VDY
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Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT)
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-18
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFL
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Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
1WGL
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Solution Structure of CUE domain in the C-terminal of Human Toll-interacting Protein (Tollip)
分子名称: Toll-interacting protein
著者Zhao, C, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-28
公開日2004-11-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of CUE domain in the C-terminal of Human Toll-interacting Protein (Tollip)
To be Published
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
6MYY
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Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ...
著者Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D.
登録日2018-11-02
公開日2018-11-14
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
8PWE
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Crystal structure of VDR complex with Novel Des-C-Ring and Aromatic-D-Ring analog 3a
分子名称: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ...
著者Rochel, N.
登録日2023-07-20
公開日2024-08-07
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Further Studies on the Highly Active Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3 (Calcitriol): Refinement of the Side Chain.
J.Med.Chem., 66, 2023

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件を2025-07-09に公開中

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