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5HN8
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Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182
分子名称: 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
8HYJ
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A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex
分子名称: DNA (48-MER), DNA-directed RNA polymerase V subunit 1, DNA-directed RNA polymerase V subunit 5A, ...
著者Zhang, H, Zhang, Y.
登録日2023-01-06
公開日2023-06-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex.
Nat Commun, 14, 2023
5HN9
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Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1186
分子名称: 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, OIdfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
6VP0
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Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ...
著者Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M.
登録日2020-02-01
公開日2020-05-13
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure and mechanism of human diacylglycerol O-acyltransferase 1.
Nature, 581, 2020
8IK1
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EstL5 in complex of PMSF
分子名称: GDSL family lipase, HEXANE-1,6-DIOL
著者Chen, R, Zhang, Y.
登録日2023-02-28
公開日2023-03-29
最終更新日2023-06-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献EstL5 in complex of PMSF
To Be Published
4GFU
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PTPN18 in complex with HER2-pY1248 phosphor-peptides
分子名称: HER2-pY1248 phosphor-peptide, Tyrosine-protein phosphatase non-receptor type 18
著者Wang, H.M, Yang, F, Du, Y.J, Yang, D.X, Zhang, Y, Yu, X, Sun, J.P.
登録日2012-08-04
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PTPN18-HER2 peptides
To be Published
4GFV
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PTPN18 in complex with HER2-pY1196 phosphor-peptides
分子名称: HER2-pY1196 phosphor-peptide, Tyrosine-protein phosphatase non-receptor type 18
著者Wang, H.M, Yang, F, Du, Y.J, Yang, D.X, Zhang, Y, Yu, X, Sun, J.P.
登録日2012-08-04
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献PTPN18-HER2 peptides
To be Published
7RHH
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BU of 7rhh by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openI state
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-07-17
公開日2021-11-03
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHG
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Cryo-EM structure of human rod CNGA1/B1 channel in cAMP-bound state
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-07-17
公開日2021-11-03
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHJ
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Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-blocked open state
分子名称: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-07-17
公開日2021-11-03
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHL
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Cryo-EM structure of human rod Apo CNGA1/B1 channel with CLZ coiled coil
分子名称: Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-07-17
公開日2021-11-03
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHI
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Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openII state
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-07-17
公開日2021-11-03
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHK
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BU of 7rhk by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state
分子名称: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-07-17
公開日2021-11-03
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7DLY
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BU of 7dly by Molmil
Crystal structure of Arabidopsis ACS7 mutant in complex with PPG
分子名称: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
7DLW
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BU of 7dlw by Molmil
Crystal structure of Arabidopsis ACS7 in complex with PPG
分子名称: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
7CZ5
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Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
分子名称: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-07
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
7D68
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BU of 7d68 by Molmil
Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
分子名称: Glucagon-like peptide 2 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-29
公開日2020-12-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
6LON
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BU of 6lon by Molmil
Crystal structure of HPSG
分子名称: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ...
著者Liu, J, Zhang, Y, Yuchi, Z.
登録日2020-01-06
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate.
Proc.Natl.Acad.Sci.USA, 117, 2020
8XGV
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Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors
分子名称: (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
登録日2023-12-15
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8XGK
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Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
分子名称: (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
登録日2023-12-15
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
3VF8
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Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8T
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Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8W
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Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VN3
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Fungal antifreeze protein exerts hyperactivity by constructing an inequable beta-helix
分子名称: 1,2-ETHANEDIOL, Antifreeze protein
著者Kondo, H, Xiao, N, Hanada, Y, Sugimoto, H, Hoshino, T, Garnham, C.P, Davies, P.L, Tsuda, S.
登録日2011-12-21
公開日2012-06-06
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation
Proc.Natl.Acad.Sci.USA, 109, 2012
7DHS
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Crystal Structure Analysis of the BRD4
分子名称: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
登録日2020-11-17
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021

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