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7DUQ
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BU of 7duq by Molmil
Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex
分子名称: CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
著者Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2021-01-11
公開日2021-07-14
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7DUR
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BU of 7dur by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
分子名称: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2021-01-11
公開日2021-08-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7EVM
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BU of 7evm by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
分子名称: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2021-05-21
公開日2021-08-11
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7XH0
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BU of 7xh0 by Molmil
crystal structure of Csn-PD from Paenibacillus dendritiformis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase
著者Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L.
登録日2022-04-07
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献crystal structure of Csn-PD from Paenibacillus dendritiformis
To Be Published
7X3O
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BU of 7x3o by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
分子名称: (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
To Be Published
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
分子名称: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
分子名称: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7D6L
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BU of 7d6l by Molmil
Crystal structure of Trx2 from D. radiodurans R1
分子名称: Thioredoxin 2, ZINC ION
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2020-09-30
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Structural and Biochemical Characterization of Thioredoxin-2 from Deinococcus radiodurans.
Antioxidants, 10, 2021
7DK9
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BU of 7dk9 by Molmil
Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
分子名称: DI(HYDROXYETHYL)ETHER, DSBA domain-containing protein, PHOSPHATE ION
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2020-11-23
公開日2021-11-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
To Be Published
7DKA
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BU of 7dka by Molmil
Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, C24S mutant protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2020-11-23
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
To Be Published
7WQR
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BU of 7wqr by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WQS
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BU of 7wqs by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25
分子名称: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
登録日2022-01-26
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WQM
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BU of 7wqm by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24
分子名称: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WOT
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BU of 7wot by Molmil
Cryo-EM structure of the inner ring monomer of the Saccharomyces cerevisiae nuclear pore complex
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
著者Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
登録日2022-01-22
公開日2022-04-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
7WOO
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BU of 7woo by Molmil
Cryo-EM structure of the inner ring protomer of the Saccharomyces cerevisiae nuclear pore complex
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
著者Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
登録日2022-01-22
公開日2022-04-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3PA3
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BU of 3pa3 by Molmil
X-ray crystal structure of compound 70 bound to human CHK1 kinase domain
分子名称: 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2010-10-18
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PA4
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BU of 3pa4 by Molmil
X-ray crystal structure of compound 2a bound to human CHK1 kinase domain
分子名称: 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2010-10-18
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PA5
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BU of 3pa5 by Molmil
X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
分子名称: 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2010-10-18
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
8WSS
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BU of 8wss by Molmil
Cryo-EM structure of Melanin-Concentrating Hormone Receptor 1 with MCH
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C.
登録日2023-10-17
公開日2024-06-19
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
8WST
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BU of 8wst by Molmil
Cryo-EM structure of Melanin-Concentrating Hormone Receptor 2 with MCH
分子名称: 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, Guanine nucleotide-binding protein G(q) subunit alpha-1, ...
著者Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C.
登録日2023-10-17
公開日2024-06-19
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
4DU0
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BU of 4du0 by Molmil
Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant)
分子名称: CHLORIDE ION, GLYCEROL, Neutrophil defensin 1
著者Wu, X, Lu, W, Pazgier, M.
登録日2012-02-21
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1
J.Biol.Chem., 287, 2012
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013

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