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5ZM5
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BU of 5zm5 by Molmil
Crystal structure of human ORP1-ORD in complex with cholesterol at 2.6 A resolution
分子名称: CHOLESTEROL, Oxysterol-binding protein-related protein 1
著者Dong, J, Wang, J, Wu, J.W.
登録日2018-04-01
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
3OV8
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BU of 3ov8 by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus, High resolution
分子名称: ACETATE ION, CHLORIDE ION, Protein AF_1382
著者Zhu, J.-Y, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2010-09-16
公開日2011-11-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8501 Å)
主引用文献Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
5ZCS
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BU of 5zcs by Molmil
4.9 Angstrom Cryo-EM structure of human mTOR complex 2
分子名称: Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ...
著者Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y.
登録日2018-02-20
公開日2018-03-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Cryo-EM structure of human mTOR complex 2.
Cell Res., 28, 2018
5XLL
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BU of 5xll by Molmil
Dimer form of M. tuberculosis PknI sensor domain
分子名称: Serine/threonine-protein kinase PknI
著者Rao, Z, Yan, Q.
登録日2017-05-10
公開日2018-05-16
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
5XLM
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BU of 5xlm by Molmil
Monomer form of M.tuberculosis PknI sensor domain
分子名称: Serine/threonine-protein kinase PknI
著者Rao, Z, Yan, Q.
登録日2017-05-10
公開日2018-05-16
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
5XWR
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BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
分子名称: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
著者Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
登録日2017-06-30
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WQT
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BU of 5wqt by Molmil
Structure of a protein involved in pyroptosis
分子名称: CITRIC ACID, GLYCEROL, Gasdermin-D
著者Kuang, S, Li, J.
登録日2016-11-28
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure insight of GSDMD reveals the basis of GSDMD autoinhibition in cell pyroptosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y2T
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BU of 5y2t by Molmil
Structure of PPARgamma ligand binding domain - lobeglitazone complex
分子名称: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-27
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
5Y2O
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BU of 5y2o by Molmil
Structure of PPARgamma ligand binding domain-pioglitazone complex
分子名称: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-26
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
7CAF
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BU of 7caf by Molmil
Mycobacterium smegmatis LpqY-SugABC complex in the pre-translocation state
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T, Rao, Z.
登録日2020-06-08
公開日2020-12-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
7CAG
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BU of 7cag by Molmil
Mycobacterium smegmatis LpqY-SugABC complex in the catalytic intermediate state
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T.
登録日2020-06-08
公開日2020-12-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
7CAD
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BU of 7cad by Molmil
Mycobacterium smegmatis SugABC complex
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T, Rao, Z.
登録日2020-06-08
公開日2020-12-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
7CAE
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BU of 7cae by Molmil
Mycobacterium smegmatis LpqY-SugABC complex in the resting state
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T, Rao, Z.
登録日2020-06-08
公開日2020-12-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
6MOA
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BU of 6moa by Molmil
C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor
分子名称: 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO7
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BU of 6mo7 by Molmil
N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor
分子名称: Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO9
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BU of 6mo9 by Molmil
N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor
分子名称: Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO8
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BU of 6mo8 by Molmil
N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor
分子名称: 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
7WKU
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BU of 7wku by Molmil
Structure of PDCoV Mpro in complex with an inhibitor
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30
著者Wang, F.H, Yang, H.T.
登録日2022-01-11
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals.
Viruses, 14, 2022
2MDC
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BU of 2mdc by Molmil
Solution structure of the WW domain of HYPB
分子名称: Histone-lysine N-methyltransferase SETD2
著者Gao, Y.G.
登録日2013-09-10
公開日2014-09-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Autoinhibitory structure of the WW domain of HYPB/SETD2 regulates its interaction with the proline-rich region of huntingtin
Structure, 22, 2014
7WCM
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BU of 7wcm by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist MBX-2982
分子名称: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
7WCN
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BU of 7wcn by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453
分子名称: Glucose-dependent insulinotropic 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Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
2MDI
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BU of 2mdi by Molmil
Solution structure of the PP2WW mutant (KPP2WW) of HYPB
分子名称: Histone-lysine N-methyltransferase SETD2
著者Gao, Y.G, Hu, H.Y.
登録日2013-09-10
公開日2014-09-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Autoinhibitory structure of the WW domain of HYPB/SETD2 regulates its interaction with the proline-rich region of huntingtin.
Structure, 22, 2014
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
分子名称: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-17
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020

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