Author results

6JCJ
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STRUCTURE OF CROLIBULIN IN COMPLEX WITH TUBULIN
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Zhang, Z., Yang, J.
Deposit date:2019-01-29
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
6FXN
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CRYSTAL STRUCTURE OF HUMAN BAFF IN COMPLEX WITH FAB FRAGMENT OF ANTI-BAFF ANTIBODY BELIMUMAB
Descriptor:Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain
Authors:Lammens, A., Maskos, K., Willen, L., Jiang, X., Schneider, P.
Deposit date:2018-03-09
Release date:2018-04-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
6DI1
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CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
Descriptor:Tyrosine-protein kinase BTK, 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
Authors:Jiang, X.
Deposit date:2018-05-22
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
6CMX
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HUMAN TENEURIN 2 EXTRA-CELLULAR REGION
Descriptor:Teneurin-2, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE
Authors:Shalev-Benami, M., Li, J., Sudhof, T., Skiniotis, G., Arac, D.
Deposit date:2018-03-06
Release date:2018-07-25
Last modified:2019-02-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Basis for Teneurin Function in Circuit-Wiring: A Toxin Motif at the Synapse.
Cell, 173, 2018
6CEZ
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CRYSTAL STRUCTURE OF RABBIT ANTI-HIV-1 GP120 V2 FAB 16C2 IN COMPLEX WITH V2 PEPTIDE CONB
Descriptor:Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, HIV-1 gp120 V2 Peptide Con B
Authors:Kong, X., Pan, R.
Deposit date:2018-02-13
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7.
PLoS Pathog., 14, 2018
6C9W
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CRYSTAL STRUCTURE OF A LIGAND BOUND LACY/NANOBODY COMPLEX
Descriptor:Lactose permease, Nanobody9047, 4-nitrophenyl alpha-D-galactopyranoside, ...
Authors:Kumar, H., Finer-Moore, J.S., Jiang, X., Smirnova, I., Kasho, V., Pardon, E., Steyaert, J., Kaback, H.R., Stroud, R.M.
Deposit date:2018-01-29
Release date:2018-08-15
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of a ligand-bound LacY-Nanobody Complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BCX
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MTORC1 STRUCTURE REFINED TO 3.0 ANGSTROMS
Descriptor:Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8, Regulatory-associated protein of mTOR, ...
Authors:Pavletich, N.P., Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
6BCU
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CRYO-EM STRUCTURE OF THE ACTIVATED RHEB-MTORC1 REFINED TO 3.4 ANGSTROM
Descriptor:Serine/threonine-protein kinase mTOR,Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8, Regulatory-associated protein of mTOR,Regulatory-associated protein of mTOR, ...
Authors:Pavletich, N.P., Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
6AVO
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CRYO-EM STRUCTURE OF HUMAN IMMUNOPROTEASOME WITH A NOVEL NONCOMPETITIVE INHIBITOR THAT SELECTIVELY INHIBITS ACTIVATED LYMPHOCYTES
Descriptor:Proteasome subunit beta type-9, Proteasome subunit beta type-10, Proteasome subunit beta type-8, ...
Authors:Li, H., Santos, R., Bai, L.
Deposit date:2017-09-04
Release date:2017-12-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes.
Nat Commun, 8, 2017
6AFR
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 5-((4-FLUORO-1H-IMIDAZOL-1-YL)METHYL)QUINOLIN-8-OL
Descriptor:Bromodomain-containing protein 4, 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
Authors:Xing, J., Zhang, R.K., Zheng, M.Y., Luo, C., Jiang, X.R.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
5XVG
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CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH226
Descriptor:Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone, ETHANOL, ...
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVF
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CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH062
Descriptor:Serine/threonine-protein kinase PAK 4, 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVA
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CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH216
Descriptor:Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone, ETHANOL
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XUR
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CRYSTAL STRUCTURE OF RV2466C C22S MUTANT
Descriptor:Thioredoxin-like reductase Rv2466c, 1,2-ETHANEDIOL, CHLORIDE ION
Authors:Zhang, X., Li, H.
Deposit date:2017-06-25
Release date:2018-03-14
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
5XLT
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THE CRYSTAL STRUCTURE OF TUBULIN IN COMPLEX WITH 4'-DEMETHYLEPIPODOPHYLLOTOXIN
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Yu, Y., Chen, Q.
Deposit date:2017-05-11
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design
Biochem. Biophys. Res. Commun., 493, 2017
5XJB
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THE CRYSTAL STRUCTURE OF THE MINIMAL CORE DOMAIN OF THE MICROTUBULE DEPOLYMERIZER KIF2C COMPLEXED WITH ADP-MG-BEFX
Descriptor:Kinesin-like protein KIF2C, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Ogawa, T., Jiang, X., Hirokawa, N.
Deposit date:2017-04-30
Release date:2017-09-13
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Cell Rep, 20, 2017
5XJA
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THE CRYSTAL STRUCTURE OF THE MINIMAL CORE DOMAIN OF THE MICROTUBULE DEPOLYMERIZER KIF2C COMPLEXED WITH ADP-MG-ALFX
Descriptor:Kinesin-like protein KIF2C, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Ogawa, T., Jiang, X., Hirokawa, N.
Deposit date:2017-04-30
Release date:2017-09-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Cell Rep, 20, 2017
5WZZ
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THE SIAH E3 UBIQUITIN LIGASES PROMOTE WNT/ BETA-CATENIN SIGNALING THROUGH MEDIATING WNT-INDUCED AXIN DEGRADATION
Descriptor:E3 ubiquitin-protein ligase SIAH1, Axin-1, ZINC ION
Authors:Ji, L., Jiang, B., Jiang, X., Charlat, O., Chen, A., Mickanin, C., Bauer, A., Xu, W., Yan, X.-X., Cong, F.
Deposit date:2017-01-19
Release date:2017-08-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
Genes Dev., 31, 2017
5WYP
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CRYSTAL STRUCTURE OF DNA POLYMERASE SLIDING CLAMP FROM CAULOBACTER CRESCENTUS
Descriptor:DNA polymerase III subunit beta
Authors:Jiang, X., Zhang, L., Teng, M., Li, X.
Deposit date:2017-01-15
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of DNA polymerase sliding clamp from Caulobacter crescentus
To Be Published
5WBY
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CRYSTAL STRUCTURE OF MTOR(DELTAN)-MLST8-PRAS40(BETA-STRAND) COMPLEX
Descriptor:Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8, Proline-rich AKT1 substrate 1
Authors:Pavletich, N.P., Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBU
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CRYSTAL STRUCTURE OF MTOR(DELTAN)-MLST8-PRAS40(ALPHA-HELIX & BETA-STRAND) COMPLEX
Descriptor:Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8, Proline-rich AKT1 substrate 1
Authors:Pavletich, N.P., Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBL
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CRYSTAL STRUCTURE OF THE ARABIDOPSIS THALIANA RAPTOR IN COMPLEX WITH THE TOS PEPTIDE OF HUMAN PRAS40
Descriptor:Regulatory-associated protein of TOR 1, Proline-rich AKT1 substrate 1
Authors:Pavletich, N.P., Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBK
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CRYSTAL STRUCTURE OF THE ARABIDOPSIS THALIANA RAPTOR IN COMPLEX WITH THE TOS PEPTIDE OF HUMAN S6K1
Descriptor:Regulatory-associated protein of TOR 1, Ribosomal protein S6 kinase beta-1
Authors:Pavletich, N.P., Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBJ
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CRYSTAL STRUCTURE OF THE ARABIDOPSIS THALIANA RAPTOR IN COMPLEX WITH THE TOS PEPTIDE OF HUMAN 4EBP1
Descriptor:Regulatory-associated protein of TOR 1, Eukaryotic translation initiation factor 4E-binding protein 1
Authors:Pavletich, N.P., Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBI
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CRYSTAL STRUCTURE OF THE ARABIDOPSIS THALIANA RAPTOR
Descriptor:Regulatory-associated protein of TOR 1
Authors:Pavletich, N.P., Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017