Author results

6RNA
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RIP2 KINASE CATALYTIC DOMAIN COMPLEX WITH 2({4[(1,3BENZOTHIAZOL5YL)AMINO]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL}OXY)ETHAN1OL
Descriptor:Receptor-interacting serine/threonine-protein kinase 2, 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
Authors:Convery, M.A., Haile, P.A.
Deposit date:2019-05-08
Release date:2019-07-17
Last modified:2019-08-07
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
6RN8
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RIP2 KINASE CATALYTIC DOMAIN COMPLEX WITH 2(4[(1,3BENZOTHIAZOL5YL)AMINO]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)OXY)ETHYL PHOSPHATE
Descriptor:Receptor-interacting serine/threonine-protein kinase 2, 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION
Authors:Convery, M.A., Haile, P.A.
Deposit date:2019-05-08
Release date:2019-07-17
Last modified:2019-08-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
6N29
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CRYSTAL STRUCTURE OF MONOMERIC VON WILLEBRAND FACTOR D`D3 ASSEMBLY
Descriptor:von Willebrand factor, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
Authors:Dong, X., Arndt, J.W., Springer, T.A.
Deposit date:2018-11-12
Release date:2019-01-23
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The von Willebrand factor D'D3 assembly and structural principles for factor VIII binding and concatemer biogenesis.
Blood, 133, 2019
6KOX
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RELAXED STATE OF S65/T66 DOUBLE-PHOSPHORYLATED UBIQUITIN
Descriptor:Polyubiquitin-B
Authors:Dong, X., Tang, C.
Deposit date:2019-08-13
Release date:2019-08-28
Last modified:2019-12-11
Method:SOLUTION NMR
Cite:Ubiquitin is double-phosphorylated by PINK1 for enhanced pH-sensitivity of conformational switch.
Protein Cell, 10, 2019
6KOW
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RETRACTED STATE OF S65/T66 DOUBLE-PHOSPHORYLATED UBIQUITIN
Descriptor:Polyubiquitin-B
Authors:Dong, X., Tang, C.
Deposit date:2019-08-13
Release date:2019-08-28
Last modified:2019-12-11
Method:SOLUTION NMR
Cite:Ubiquitin is double-phosphorylated by PINK1 for enhanced pH-sensitivity of conformational switch.
Protein Cell, 10, 2019
6J09
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CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE BAMA POTRA1-4
Descriptor:Outer membrane protein assembly factor BamA
Authors:Ma, X., Wang, Q., Li, Y., Tan, P., Wu, H., Wang, P., Dong, X., Hong, L., Meng, G.
Deposit date:2018-12-21
Release date:2019-10-30
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:How BamA recruits OMP substratesviapoly-POTRAs domain.
Faseb J., 2019
6IZT
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CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE BAMA POTRA3-5
Descriptor:Outer membrane protein assembly factor BamA
Authors:Ma, X., Wang, Q., Li, Y., Tan, P., Wu, H., Wang, P., Dong, X., Hong, L., Meng, G.
Deposit date:2018-12-20
Release date:2019-10-30
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:How BamA recruits OMP substratesviapoly-POTRAs domain.
Faseb J., 2019
6IZS
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CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE BAMA POTRA4
Descriptor:Outer membrane protein assembly factor BamA
Authors:Ma, X., Wang, Q., Li, Y., Tan, P., Wu, H., Wang, P., Dong, X., Hong, L., Meng, G.
Deposit date:2018-12-20
Release date:2019-10-30
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:How BamA recruits OMP substratesviapoly-POTRAs domain.
Faseb J., 2019
6HMX
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RIP2 KINASE CATALYTIC DOMAIN COMPLEX WITH N(4,5DIMETHYL1HPYRAZOL3YL)7METHOXY6(2METHYLPROPANE2SULFONYL)QUINOLIN4AMINE
Descriptor:Receptor-interacting serine/threonine-protein kinase 2, 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
Authors:Convery, M.A., Haile, P.A.
Deposit date:2018-09-13
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
ACS Med Chem Lett, 9, 2018
6DBS
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FUSION SURFACE STRUCTURE, FUNCTION, AND DYNAMICS OF GAMETE FUSOGEN HAP2
Descriptor:Hapless 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Feng, J., Dong, X., Springer, T.A.
Deposit date:2018-05-03
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Fusion surface structure, function, and dynamics of gamete fusogen HAP2.
Elife, 7, 2018
6A8R
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CRYSTAL STRUCTURE OF DUX4 HD2 DOMAIN ASSOCIATED WITH ERG DNA BINDING SITE
Descriptor:Double homeobox protein 4, DNA (5'-D(P*TP*GP*AP*TP*GP*AP*GP*AP*TP*T)-3'), DNA (5'-D(P*AP*AP*TP*CP*TP*CP*AP*TP*CP*A)-3')
Authors:Dong, X., Zhang, H., Cheng, N., Meng, G.
Deposit date:2018-07-10
Release date:2018-10-24
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DUX4HD2-DNAERGstructure reveals new insight into DUX4-Responsive-Element.
Leukemia, 33, 2019
5Z2T
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CRYSTAL STRUCTURE OF DNA-BOUND DUX4-HD2
Descriptor:Double homeobox protein 4, 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3'
Authors:Dong, X., Zhang, W., Wu, H., Huang, J., Zhang, M., Wang, P., Zhang, H., Chen, Z., Chen, S., Meng, G.
Deposit date:2018-01-04
Release date:2018-04-04
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
5Z2S
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CRYSTAL STRUCTURE OF DUX4-HD2 DOMAIN
Descriptor:Double homeobox protein 4
Authors:Dong, X., Zhang, W., Wu, H., Huang, J., Zhang, M., Wang, P., Zhang, H., Chen, Z., Chen, S., Meng, G.
Deposit date:2018-01-03
Release date:2018-04-04
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
5YZ9
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ZINC FINGER DOMAIN OF METTL3-METTL14 N6-METHYLADENOSINE METHYLTRANSFERASE
Descriptor:N6-adenosine-methyltransferase catalytic subunit, ZINC ION
Authors:Dong, X., Tang, C., Gong, Z., Yin, P., Huang, J.B.
Deposit date:2017-12-13
Release date:2018-03-28
Last modified:2019-03-27
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase.
Protein Cell, 10, 2019
5YMY
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THE STRUCTURE OF THE COMPLEX BETWEEN RPN13 AND K48-DIUB
Descriptor:Ubiquitin, Proteasomal ubiquitin receptor ADRM1
Authors:Liu, Z., Dong, X., Gong, Z., Yi, H.W., Liu, K., Yang, J., Zhang, W.P., Tang, C.
Deposit date:2017-10-22
Release date:2019-03-13
Last modified:2019-04-24
Method:SOLUTION NMR
Cite:Structural basis for the recognition of K48-linked Ub chain by proteasomal receptor Rpn13.
Cell Discov, 5, 2019
5XK5
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RELAXED STATE OF S65-PHOSPHORYLATED UBIQUITIN
Descriptor:Polyubiquitin-B
Authors:Xu, D., Zhou, G., Qin, L.Y., Ran, M.L., Zhang, C.L., Liu, K., Liu, Z., Zhang, W.P., Tang, C.
Deposit date:2017-05-05
Release date:2017-06-28
Last modified:2017-07-12
Method:SOLUTION NMR
Cite:Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XK4
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RETRACTED STATE OF S65-PHOSPHORYLATED UBIQUITIN
Descriptor:Polyubiquitin-B
Authors:Dong, X., Gong, Z., Qin, L.Y., Ran, M.L., Zhang, C.L., Liu, K., Liu, Z., Zhang, W.P., Tang, C.
Deposit date:2017-05-05
Release date:2017-06-28
Last modified:2017-07-12
Method:SOLUTION NMR
Cite:Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XBO
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LANTHANOID TAGGING VIA AN UNNATURAL AMINO ACID FOR PROTEIN STRUCTURE CHARACTERIZATION
Descriptor:Polyubiquitin-B, UV excision repair protein RAD23 homolog A, TERBIUM(III) ION
Authors:Jiang, W., Gu, X., Dong, X., Tang, C.
Deposit date:2017-03-21
Release date:2017-05-31
Last modified:2017-10-18
Method:SOLUTION NMR
Cite:Lanthanoid tagging via an unnatural amino acid for protein structure characterization
J. Biomol. NMR, 67, 2017
5WS2
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CRYSTAL STRUCTURE OF MPY-RNASE J (MUTANT S247A), AN ARCHAEAL RNASE J FROM METHANOLOBUS PSYCHROPHILUS R15, COMPLEX WITH RNA
Descriptor:Ribonuclease J, RNA (5'-R(P*AP*AP*AP*AP*A)-3'), ZINC ION, ...
Authors:Li, D.F., Feng, N.
Deposit date:2016-12-05
Release date:2017-12-06
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:New molecular insights into an archaeal RNase J reveal a conserved processive exoribonucleolysis mechanism of the RNase J family
Mol. Microbiol., 106, 2017
5WRW
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STRUCTURE OF HUMAN APO-SRP72
Descriptor:Signal recognition particle subunit SRP72, SULFATE ION
Authors:Gao, Y., Chen, Z.
Deposit date:2016-12-04
Release date:2017-06-21
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
5WRV
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COMPLEX STRUCTURE OF HUMAN SRP72/SRP68
Descriptor:Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72, ACETATE ION, ...
Authors:Gao, Y., Chen, Z.
Deposit date:2016-12-04
Release date:2017-06-21
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
5VQP
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CRYSTAL STRUCTURE OF HUMAN PRO-TGF-BETA1
Descriptor:Transforming growth factor beta-1, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE
Authors:Zhao, B., Xu, S., Dong, X., Lu, C., Springer, T.A.
Deposit date:2017-05-09
Release date:2017-11-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
5VQF
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CRYSTAL STRUCTURE OF PRO-TGF-BETA 1
Descriptor:Transforming growth factor beta-1, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE
Authors:Zhao, B., Xu, S., Dong, X., Lu, C., Springer, T.A.
Deposit date:2017-05-08
Release date:2017-11-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
5VBT
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CRYSTAL STRUCTURE OF A HIGHLY SPECIFIC AND POTENT USP7 UBIQUITIN VARIANT INHIBITOR
Descriptor:UBH04
Authors:DONG, A., DONG, X., LIU, L., GUO, Y., LI, Y., ZHANG, W., WALKER, J.R., SIDHU, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., TONG, Y., Structural Genomics Consortium (SGC)
Deposit date:2017-03-30
Release date:2017-06-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
to be published
5TX5
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RIP1 KINASE ( FLAG 1-294, C34A, C127A, C233A, C240A) WITH GSK772
Descriptor:Receptor-interacting serine/threonine-protein kinase 1, 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide
Authors:Campobasso, N., Ward, P., Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
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