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3R3Q
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BU of 3r3q by Molmil
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
2KYT
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BU of 2kyt by Molmil
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
3LDZ
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BU of 3ldz by Molmil
Crystal structure of human STAM1 VHS domain in complex with ubiquitin
Descriptor: Signal transducing adapter molecule 1, Ubiquitin
Authors:Ren, X, Hurley, J.H.
Deposit date:2010-01-13
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:VHS domains of ESCRT-0 cooperate in high-avidity binding to polyubiquitinated cargo.
Embo J., 29, 2010
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
Descriptor: 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, ...
Authors:Ren, X, Pyle, A.
Deposit date:2016-12-21
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017
7W80
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BU of 7w80 by Molmil
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
7MK1
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BU of 7mk1 by Molmil
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
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
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
3R42
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BU of 3r42 by Molmil
Crystal structure of the yeast vps23 UEV domain in complex with a vps27 PSDP peptide
Descriptor: Suppressor protein STP22 of temperature-sensitive alpha-factor receptor and arginine permease, Vacuolar protein sorting-associated protein 27
Authors:Ren, X, Hurley, J.H.
Deposit date:2011-03-17
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:Structural basis for endosomal recruitment of ESCRT-I by ESCRT-0 in yeast.
Embo J., 30, 2011
3F1I
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BU of 3f1i by Molmil
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
8DO8
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BU of 8do8 by Molmil
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
8XJJ
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BU of 8xjj by Molmil
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
8H6T
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BU of 8h6t by Molmil
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
8H6P
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BU of 8h6p by Molmil
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
4NEE
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BU of 4nee by Molmil
crystal structure of AP-2 alpha/simga2 complex bound to HIV-1 Nef
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit sigma, Protein Nef
Authors:Hurley, J.H, Bonifacino, J.S, Ren, X, Park, S.Y.
Deposit date:2013-10-29
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8841 Å)
Cite:How HIV-1 Nef hijacks the AP-2 clathrin adaptor to downregulate CD4.
Elife, 3, 2014
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
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
6CM9
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BU of 6cm9 by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef closed trimer monomeric subunit
Descriptor: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
Authors:Morris, K.L, Buffalo, C.Z, Ren, X, Hurley, J.H.
Deposit date:2018-03-03
Release date:2018-08-08
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
6DFF
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BU of 6dff by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef monomer
Descriptor: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
Authors:Morris, K.L, Buffalo, C.Z, Ren, X, Hurley, J.H.
Deposit date:2018-05-14
Release date:2018-08-08
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
5HM9
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BU of 5hm9 by Molmil
Crystal structure of MamO protease domain from Magnetospirillum magneticum (apo form)
Descriptor: MamO protease domain, poly(UNK)
Authors:Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A.
Deposit date:2016-01-15
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria.
Plos Biol., 14, 2016
5HMA
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BU of 5hma by Molmil
Crystal structure of MamO protease domain from Magnetospirillum magneticum (Ni bound form)
Descriptor: CHLORIDE ION, NICKEL (II) ION, Trypsin-like serine protease, ...
Authors:Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A.
Deposit date:2016-01-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria.
Plos Biol., 14, 2016
7SLH
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BU of 7slh by Molmil
Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C3
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Jenkins, J.L, Vargas, D, Ren, X, Fasan, R.
Deposit date:2021-10-24
Release date:2023-05-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Jenkins, J.L, Vargas, D, Ren, X, Fasan, R.
Deposit date:2021-10-24
Release date:2023-05-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling.
Nat.Chem., 16, 2024
4RR4
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BU of 4rr4 by Molmil
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
4RKA
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BU of 4rka by Molmil
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
4RK8
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BU of 4rk8 by Molmil
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
4RLI
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BU of 4rli by Molmil
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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