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PDB: 59 件

8H6T
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Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
7W80
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Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan
分子名称: 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Ren, X, Diao, X, Zhuang, J, Wu, D.
登録日2021-12-07
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.754 Å)
主引用文献Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan.
Mol.Pharmacol., 2022
7MK1
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BU of 7mk1 by Molmil
Structure of a protein-modified aptamer complex
分子名称: Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ...
著者Ren, X, Pyle, A.M.
登録日2021-04-21
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA.
J.Mol.Biol., 433, 2021
4ZMG
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BU of 4zmg by Molmil
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338
分子名称: 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Ren, X.L, Zhu, J.S, Zhu, L.L, Li, H.L.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338
To Be Published
4HMY
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BU of 4hmy by Molmil
Structural basis for recruitment and activation of the AP-1 clathrin adaptor complex by Arf1
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Ren, X, Farias, G.G, Canagarajah, B.J, Bonifacino, J.S, Hurley, J.H.
登録日2012-10-18
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (7 Å)
主引用文献Structural Basis for Recruitment and Activation of the AP-1 Clathrin Adaptor Complex by Arf1.
Cell(Cambridge,Mass.), 152, 2013
3R3Q
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Crystal structure of the yeast Vps23 UEV domain
分子名称: ACETATE ION, CHLORIDE ION, IMIDAZOLE, ...
著者Ren, X, Hurley, J.H.
登録日2011-03-16
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis for endosomal recruitment of ESCRT-I by ESCRT-0 in yeast.
Embo J., 30, 2011
3R42
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Crystal structure of the yeast vps23 UEV domain in complex with a vps27 PSDP peptide
分子名称: Suppressor protein STP22 of temperature-sensitive alpha-factor receptor and arginine permease, Vacuolar protein sorting-associated protein 27
著者Ren, X, Hurley, J.H.
登録日2011-03-17
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Structural basis for endosomal recruitment of ESCRT-I by ESCRT-0 in yeast.
Embo J., 30, 2011
3LDZ
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Crystal structure of human STAM1 VHS domain in complex with ubiquitin
分子名称: Signal transducing adapter molecule 1, Ubiquitin
著者Ren, X, Hurley, J.H.
登録日2010-01-13
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献VHS domains of ESCRT-0 cooperate in high-avidity binding to polyubiquitinated cargo.
Embo J., 29, 2010
3F1I
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Human ESCRT-0 Core Complex
分子名称: Hepatocyte growth factor-regulated tyrosine kinase substrate, Signal transducing adapter molecule 1
著者Ren, X, Kloer, D.P, Kim, Y, Ghirlando, R, Saidi, L, Hummer, G, Hurley, J.H.
登録日2008-10-28
公開日2009-03-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hybrid Structural Model of the Complete Human ESCRT-0 Complex.
Structure, 17, 2009
5UC6
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BU of 5uc6 by Molmil
Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III
分子名称: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ...
著者Ren, X, Pyle, A.
登録日2016-12-21
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017
2KYT
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BU of 2kyt by Molmil
Solution structure of the H-REV107 N-terminal domain
分子名称: Group XVI phospholipase A2
著者Ren, X, Xia, B.
登録日2010-06-08
公開日2010-11-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal catalytic domain of human H-REV107--a novel circular permutated NlpC/P60 domain
Febs Lett., 584, 2010
6LSB
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BU of 6lsb by Molmil
Crystal Structure of DPF domain of MOZ in complex with H3K14bz peptide
分子名称: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
著者Li, H.T, Ren, X.L.
登録日2020-01-17
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
6LS6
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BU of 6ls6 by Molmil
Crystal Structure of YEATS domain of AF9 in complex with H3K9bz peptide
分子名称: 2, Protein AF-9
著者Li, H.T, Ren, X.L.
登録日2020-01-17
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
8W9B
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BU of 8w9b by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
分子名称: 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, X, Ren, X, Zhong, W.
登録日2023-09-05
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
8W9A
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BU of 8w9a by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
分子名称: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, X, Ren, X, Zhong, W.
登録日2023-09-05
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
9IJB
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BU of 9ijb by Molmil
Crystal structure and function analysis of a highly potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
分子名称: 6-phosphogluconate dehydrogenase, NAD(+)-dependent, decarboxylating
著者Wang, Y.Z, Ren, X.Q, Li, T, Zhang, R.D.
登録日2024-06-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.740405 Å)
主引用文献Crystal structure and function analysis of a potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
To Be Published
6LSD
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BU of 6lsd by Molmil
Crystal Structure of YEATS domain of human YEATS2 in complex with H3K27bz peptide
分子名称: 2, GLYCEROL, SULFATE ION, ...
著者Li, H.T, Ren, X.L.
登録日2020-01-17
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
6OWT
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BU of 6owt by Molmil
Structure of SIVsmm Nef and SMM tetherin bound to the clathrin adaptor AP-2 complex
分子名称: AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit sigma, ...
著者Buffalo, C.Z, Ren, X, Hurley, J.H.
登録日2019-05-10
公開日2019-09-25
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural Basis for Tetherin Antagonism as a Barrier to Zoonotic Lentiviral Transmission.
Cell Host Microbe, 26, 2019
8DO8
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BU of 8do8 by Molmil
Crystal structure ATG9 HDIR in complex with the ATG13:ATG101 HORMA dimer
分子名称: Autophagy-related protein 101, Autophagy-related protein 13, GLYCEROL
著者Buffalo, C.Z, Ren, X, Yokom, A.L, Hurley, J.H.
登録日2022-07-12
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural basis for ATG9A recruitment to the ULK1 complex in mitophagy initiation.
Sci Adv, 9, 2023
7SLH
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BU of 7slh by Molmil
Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C3
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Jenkins, J.L, Vargas, D, Ren, X, Fasan, R.
登録日2021-10-24
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling.
Nat.Chem., 16, 2024
7SLI
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BU of 7sli by Molmil
Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Jenkins, J.L, Vargas, D, Ren, X, Fasan, R.
登録日2021-10-24
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling.
Nat.Chem., 16, 2024
7C1R
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BU of 7c1r by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1H
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Crystal structure of the starter condensation domain of rhizomide synthetase RzmA
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-04
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1P
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BU of 7c1p by Molmil
Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021

 

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