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8HF8
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Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
分子名称: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2022-11-09
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
8HEY
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BU of 8hey by Molmil
One CVSC-binding penton vertex in HCMV B-capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ...
著者Li, Z, Yu, X.
登録日2022-11-09
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEX
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BU of 8hex by Molmil
C5 portal vertex in HCMV B-capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ...
著者Li, Z, Yu, X.
登録日2022-11-08
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEW
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BU of 8hew by Molmil
Potato 14-3-3 St14f
分子名称: 14-3-3 protein, StFDL1 peptide
著者Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C.
登録日2022-11-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening.
Plant J., 112, 2022
8HEV
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BU of 8hev by Molmil
C12 portal in HCMV B-capsid
分子名称: Portal protein, Unknown peptide
著者Li, Z, Yu, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEU
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BU of 8heu by Molmil
C12 portal in HCMV A-capsid
分子名称: Portal protein
著者Li, Z, Yu, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HES
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BU of 8hes by Molmil
Crystal structure of SARS-CoV-2 RBD and NIV-10 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-10 Fab H-chain, NIV-10 Fab L-chain, ...
著者Moriyama, S, Anraku, Y, Taminishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
登録日2022-11-08
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
8HEO
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BU of 8heo by Molmil
Crystal structure of SIAH1 SBD bound to Axin2 peptide
分子名称: E3 ubiquitin-protein ligase SIAH1, Peptide from Axin-2, ZINC ION
著者Yan, X.X, Tian, L.F.
登録日2022-11-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structure of SIAH1 SBD bound to Axin2 peptide
To Be Published
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
分子名称: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
分子名称: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEH
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BU of 8heh by Molmil
Crystal structure of GCN5-related N-acetyltransferase 05790
分子名称: COENZYME A, GLYCEROL, GNAT family N-acetyltransferase
著者Xu, M.X, Ran, T.T, Wang, W.
登録日2022-11-08
公開日2022-12-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of prodigiosin binding protein PgbP, a GNAT family protein, in Serratia marcescens FS14.
Biochem.Biophys.Res.Commun., 640, 2022
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
著者Yan, M, Zhang, H.
登録日2022-11-08
公開日2023-04-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
8HED
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BU of 8hed by Molmil
Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab
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, Spike protein S1, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-11-08
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HEC
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BU of 8hec by Molmil
SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation
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, Spike glycoprotein, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-11-08
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HEB
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BU of 8heb by Molmil
SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation
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, Spike glycoprotein, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-11-08
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HE9
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BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
分子名称: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-07
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HE8
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BU of 8he8 by Molmil
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者Wang, X.Y, Xu, B.L, Zhou, J.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
8HE5
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BU of 8he5 by Molmil
RNA polymerase II elongation complex bound with Rad26 and Elf1, stalled at SHL(-3.5) of the nucleosome
分子名称: DNA (198-MER), DNA repair protein, DNA-directed RNA polymerase subunit, ...
著者Osumi, K, Kujirai, T, Ehara, H, Kinoshita, C, Saotome, M, Kagawa, W, Sekine, S, Takizawa, Y, Kurumizaka, H.
登録日2022-11-07
公開日2023-07-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.95 Å)
主引用文献Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
8HE3
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BU of 8he3 by Molmil
Crystal structure of importin-alpha1 bound to the HIF-1alpha nuclear localization signal (delta 724-751)
分子名称: Hypoxia-inducible factor 1-alpha, Importin subunit alpha-1, SULFATE ION
著者Matsuura, Y.
登録日2022-11-07
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of importin-alpha bound to the wild-type and an internal deletion mutant of the bipartite nuclear localization signal of HIF-1 alpha.
Biochem.Biophys.Res.Commun., 652, 2023
8HE0
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BU of 8he0 by Molmil
Crystal structure of importin-alpha1 bound to the HIF-1alpha nuclear localization signal (wild-type)
分子名称: Hypoxia-inducible factor 1-alpha, Importin subunit alpha-1
著者Matsuura, Y.
登録日2022-11-07
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of importin-alpha bound to the wild-type and an internal deletion mutant of the bipartite nuclear localization signal of HIF-1 alpha.
Biochem.Biophys.Res.Commun., 652, 2023
8HDG
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BU of 8hdg by Molmil
Small peptide enhances the binding of nutline-3a to MdmX
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Uncharacterized protein DKFZp686B01123
著者Cheng, X.Y, Huang, Y, Wei, Q.Y, Huang, J.J, Peng, Y.W, Su, Z.D.
登録日2022-11-04
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Small peptide enhances the binding of nutline-3a to MdmX
To Be Published
8HDD
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BU of 8hdd by Molmil
Complex structure of catalytic, small, and a partial electron transfer subunits from Burkholderia cepacia FAD glucose dehydrogenase
分子名称: FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Glucose dehydrogenase, ...
著者Yoshida, H, Sode, K.
登録日2022-11-04
公開日2022-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Microgravity environment grown crystal structure information based engineering of direct electron transfer type glucose dehydrogenase.
Commun Biol, 5, 2022
8HD2
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BU of 8hd2 by Molmil
Crystal structure of SAM dependent methyltransferase encoded in type II fatty acid biosynthesis gene cluster from ladderane lipid producing anammox bacteria
分子名称: Methyltransf_25 domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Uegaki, T, Nagano, S, Hino, T.
登録日2022-11-03
公開日2023-05-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Anammox Bacterial S -Adenosyl-l-Methionine Dependent Methyltransferase Crystal Structure and Its Interaction with Acyl Carrier Proteins.
Int J Mol Sci, 24, 2023
8HCT
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BU of 8hct by Molmil
Crystal structure of Cu2+ binding to Dendrorhynchus zhejiangensis ferritin
分子名称: COPPER (II) ION, FE (III) ION, Ferritin, ...
著者Ming, T.H, Su, X.R, Huo, C.H.
登録日2022-11-03
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
8HCO
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BU of 8hco by Molmil
Substrate-engaged TOM complex from yeast
分子名称: Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, ...
著者Zhou, X.Y, Yang, Y.Q, Wang, G.P, Wang, S.S.
登録日2022-11-02
公開日2023-09-13
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Molecular pathway of mitochondrial preprotein import through the TOM-TIM23 supercomplex.
Nat.Struct.Mol.Biol., 30, 2023

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件を2024-07-10に公開中

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