8XJJ
 
 | | Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | | Authors: | Ren, X. | | Deposit date: | 2023-12-21 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers.
Mol.Cancer Ther., 2024
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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
 | | 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
 | | 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
 | | 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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3LDZ
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5UC6
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3R42
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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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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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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
 | | 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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8DO8
 | | Crystal structure ATG9 HDIR in complex with the ATG13:ATG101 HORMA dimer | | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13, GLYCEROL | | Authors: | Buffalo, C.Z, Ren, X, Yokom, A.L, Hurley, J.H. | | Deposit date: | 2022-07-12 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural basis for ATG9A recruitment to the ULK1 complex in mitophagy initiation.
Sci Adv, 9, 2023
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4LS1
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 | | Descriptor: | 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | | Deposit date: | 2013-07-21 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312
To be Published
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8Y58
 | | Crystal structure of TRIM21 PRYSPRY (D355A) in complex with acepromazine. | | Descriptor: | 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE, E3 ubiquitin-protein ligase TRIM21, FORMIC ACID | | Authors: | Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T. | | Deposit date: | 2024-01-31 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective degradation of multimeric proteins via chemically induced proximity to TRIM21.
To be published
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8Y59
 | | Crystal structure of TRIM21 PRYSPRY (D355A) in complex with (S)-hydroxyl-acepromazine. | | Descriptor: | (1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol, E3 ubiquitin-protein ligase TRIM21 | | Authors: | Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T. | | Deposit date: | 2024-01-31 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Selective degradation of multimeric proteins via chemically induced proximity to TRIM21.
To be published
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8Y5B
 | | Crystal structure of TRIM21 PRYSPRY (D355A) in complex with (R)-hydroxyl-acepromazine. | | Descriptor: | (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol, E3 ubiquitin-protein ligase TRIM21 | | Authors: | Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T. | | Deposit date: | 2024-01-31 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Selective degradation of multimeric proteins via chemically induced proximity to TRIM21.
To be published
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7XSV
 | | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | | Descriptor: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | | Authors: | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | | Deposit date: | 2022-05-15 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
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4RR4
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 | | Descriptor: | 2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | | Deposit date: | 2014-11-06 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367
TO BE PUBLISHED
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4RKA
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 | | Descriptor: | 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | | Deposit date: | 2014-10-12 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347
TO BE PUBLISHED
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4RLI
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | | Deposit date: | 2014-10-17 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048
TO BE PUBLISHED
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4RK8
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 | | Descriptor: | 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | | Deposit date: | 2014-10-12 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
TO BE PUBLISHED
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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
 | | 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
 | | 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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