7MK1
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![BU of 7mk1 by Molmil](/molmil-images/mine/7mk1) | Structure of a protein-modified aptamer complex | Descriptor: | Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ... | Authors: | Ren, X, Pyle, A.M. | Deposit date: | 2021-04-21 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA. J.Mol.Biol., 433, 2021
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7W80
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![BU of 7w80 by Molmil](/molmil-images/mine/7w80) | Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan | Descriptor: | 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 | Authors: | Ren, X, Diao, X, Zhuang, J, Wu, D. | Deposit date: | 2021-12-07 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.754 Å) | Cite: | Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan. Mol.Pharmacol., 2022
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8H6T
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![BU of 8h6t by Molmil](/molmil-images/mine/8h6t) | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | Descriptor: | (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 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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8H6P
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![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | Descriptor: | (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 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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5UC6
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4ZMG
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![BU of 4zmg by Molmil](/molmil-images/mine/4zmg) | Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 | Descriptor: | 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Ren, X.L, Zhu, J.S, Zhu, L.L, Li, H.L. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 To Be Published
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4HMY
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![BU of 4hmy by Molmil](/molmil-images/mine/4hmy) | Structural basis for recruitment and activation of the AP-1 clathrin adaptor complex by Arf1 | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | Authors: | Ren, X, Farias, G.G, Canagarajah, B.J, Bonifacino, J.S, Hurley, J.H. | Deposit date: | 2012-10-18 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (7 Å) | Cite: | Structural Basis for Recruitment and Activation of the AP-1 Clathrin Adaptor Complex by Arf1. Cell(Cambridge,Mass.), 152, 2013
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3R3Q
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![BU of 3r3q by Molmil](/molmil-images/mine/3r3q) | Crystal structure of the yeast Vps23 UEV domain | Descriptor: | ACETATE ION, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Ren, X, Hurley, J.H. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for endosomal recruitment of ESCRT-I by ESCRT-0 in yeast. Embo J., 30, 2011
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3R42
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3LDZ
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![BU of 3ldz by Molmil](/molmil-images/mine/3ldz) | |
3F1I
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![BU of 3f1i by Molmil](/molmil-images/mine/3f1i) | Human ESCRT-0 Core Complex | Descriptor: | Hepatocyte growth factor-regulated tyrosine kinase substrate, Signal transducing adapter molecule 1 | Authors: | Ren, X, Kloer, D.P, Kim, Y, Ghirlando, R, Saidi, L, Hummer, G, Hurley, J.H. | Deposit date: | 2008-10-28 | Release date: | 2009-03-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Hybrid Structural Model of the Complete Human ESCRT-0 Complex. Structure, 17, 2009
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2KYT
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![BU of 2kyt by Molmil](/molmil-images/mine/2kyt) | Solution structure of the H-REV107 N-terminal domain | Descriptor: | Group XVI phospholipase A2 | Authors: | Ren, X, Xia, B. | Deposit date: | 2010-06-08 | Release date: | 2010-11-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the N-terminal catalytic domain of human H-REV107--a novel circular permutated NlpC/P60 domain Febs Lett., 584, 2010
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8W9A
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![BU of 8w9a by Molmil](/molmil-images/mine/8w9a) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | Descriptor: | 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 | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024
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8W9B
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![BU of 8w9b by Molmil](/molmil-images/mine/8w9b) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | Descriptor: | 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 | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024
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7C1L
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![BU of 7c1l by Molmil](/molmil-images/mine/7c1l) | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1U
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![BU of 7c1u by Molmil](/molmil-images/mine/7c1u) | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1R
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![BU of 7c1r by Molmil](/molmil-images/mine/7c1r) | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1H
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![BU of 7c1h by Molmil](/molmil-images/mine/7c1h) | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-04 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1S
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![BU of 7c1s by Molmil](/molmil-images/mine/7c1s) | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC | Descriptor: | Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.586 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1K
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![BU of 7c1k by Molmil](/molmil-images/mine/7c1k) | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-04 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1P
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![BU of 7c1p by Molmil](/molmil-images/mine/7c1p) | Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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6OWT
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![BU of 6owt by Molmil](/molmil-images/mine/6owt) | Structure of SIVsmm Nef and SMM tetherin bound to the clathrin adaptor AP-2 complex | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit sigma, ... | Authors: | Buffalo, C.Z, Ren, X, Hurley, J.H. | Deposit date: | 2019-05-10 | Release date: | 2019-09-25 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Tetherin Antagonism as a Barrier to Zoonotic Lentiviral Transmission. Cell Host Microbe, 26, 2019
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6LSD
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6LS6
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6LSB
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![BU of 6lsb by Molmil](/molmil-images/mine/6lsb) | |