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7XNE
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BU of 7xne by Molmil
Crystal structure of CBP bromodomain liganded with Y08284
分子名称: CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
著者Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y.
登録日2022-04-28
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
3SDJ
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BU of 3sdj by Molmil
Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1
分子名称: N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P.
登録日2011-06-09
公開日2011-07-13
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structural and functional basis for RNA cleavage by Ire1.
Bmc Biol., 9, 2011
3R5T
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BU of 3r5t by Molmil
Crystal structure of holo-ViuP
分子名称: (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, 1,2-ETHANEDIOL, ACETIC ACID, ...
著者Li, N, Zhang, C, Li, B, Liu, X, Huang, Y, Xu, S, Gu, L.
登録日2011-03-19
公開日2012-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Unique iron coordination in iron-chelating molecule vibriobactin helps Vibrio cholerae evade mammalian siderocalin-mediated immune response.
J.Biol.Chem., 287, 2012
3TB4
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BU of 3tb4 by Molmil
Crystal structure of the ISC domain of VibB
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Liu, S, Zhang, C, Niu, B, Li, N, Liu, M, Wei, T, Zhu, D, Xu, S, Gu, L.
登録日2011-08-05
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
3TG2
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BU of 3tg2 by Molmil
Crystal structure of the ISC domain of VibB in complex with isochorismate
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase
著者Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L.
登録日2011-08-17
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
3UON
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BU of 3uon by Molmil
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
分子名称: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ...
著者Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T.
登録日2011-11-16
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist.
Nature, 482, 2012
7BW1
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BU of 7bw1 by Molmil
Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase 2, SULFATE ION, ...
著者Xiao, Q, Zhang, C, Wei, Z.
登録日2020-04-13
公開日2020-08-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human steroid 5 alpha-reductase 2 with anti-androgen drug finasteride.
Res Sq, 2020
7EVJ
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BU of 7evj by Molmil
Crystal structure of CBP bromodomain liganded with 9c
分子名称: 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ...
著者Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y.
登録日2021-05-21
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
7DTY
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BU of 7dty by Molmil
Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor
分子名称: CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W.
登録日2021-01-06
公開日2021-08-04
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor.
Elife, 10, 2021
7VAB
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BU of 7vab by Molmil
Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex
分子名称: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-28
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VBI
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BU of 7vbi by Molmil
Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 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Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-31
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIN
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BU of 7fin by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex
分子名称: CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ...
著者Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-07-31
公開日2022-02-23
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIY
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BU of 7fiy by Molmil
Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex
分子名称: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-01
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIM
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BU of 7fim by Molmil
Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human glucagon like peptide 1 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Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-07-31
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VBH
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BU of 7vbh by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 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Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-31
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7YL2
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BU of 7yl2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
分子名称: Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ...
著者Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y.
登録日2022-07-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
6IJI
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BU of 6iji by Molmil
Crystal structure of PDE10 in complex with inhibitor 2b
分子名称: 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
登録日2018-10-10
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6IJH
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BU of 6ijh by Molmil
Crystal structure of PDE10 in complex with inhibitor AF-399/14387019
分子名称: 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
登録日2018-10-10
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
7XD7
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BU of 7xd7 by Molmil
The pre-Tet-C state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
分子名称: MAGNESIUM ION, SPERMIDINE, The pre-Tet-C state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-03-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD3
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BU of 7xd3 by Molmil
The relaxed pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
分子名称: MAGNESIUM ION, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-03-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD5
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BU of 7xd5 by Molmil
The Tet-S2 state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
分子名称: MAGNESIUM ION, SPERMIDINE, The Tet-S2 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ...
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-04-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD6
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BU of 7xd6 by Molmil
The Tet-S2 state with a pseudoknotted 4-way junction of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
分子名称: MAGNESIUM ION, SPERMIDINE, The Tet-S2 state with a pseudoknotted 4-way junction molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ...
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-04-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD4
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The intermediate pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
分子名称: Co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon, MAGNESIUM ION
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-03-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7Y5N
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BU of 7y5n by Molmil
Structure of 1:1 PAPP-A.ProMBP complex(half 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, Bone marrow proteoglycan, ...
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-06-17
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
7Y5Q
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Structure of 1:1 PAPP-A.STC2 complex(half map)
分子名称: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-06-17
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022

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