Author results

6XQN
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STRUCTURE OF A MITOCHONDRIAL CALCIUM UNIPORTER HOLOCOMPLEX (MICU1, MICU2, MCU, EMRE) IN LOW CA2+
Descriptor:Protein EMRE homolog, mitochondrial-like Protein, Calcium uniporter protein, ...
Authors:Long, S.B., Wang, C., Baradaran, R., Jacewicz, A., Delgado, B.
Deposit date:2020-07-09
Release date:2020-07-29
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures reveal gatekeeping of the mitochondrial Ca2+uniporter by MICU1-MICU2.
Elife, 9, 2020
6XQO
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STRUCTURE OF THE HUMAN MICU1-MICU2 HETERODIMER, CALCIUM BOUND, IN ASSOCIATION WITH A LIPID NANODISC
Descriptor:Calcium uptake protein 1, mitochondrial, Calcium uptake protein 2, ...
Authors:Long, S.B., Wang, C., Baradaran, R., Jacewicz, A., Delgado, B.
Deposit date:2020-07-09
Release date:2020-07-29
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures reveal gatekeeping of the mitochondrial Ca2+uniporter by MICU1-MICU2.
Elife, 9, 2020
7CDV
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STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SGHR
Descriptor:LacI-type transcription factor
Authors:Ye, F.Z., Wang, C., Yan, X.F., Zhang, L.H., Gao, Y.G.
Deposit date:2020-06-20
Release date:2020-07-15
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of a novel repressor SghR controlling Agrobacterium infection by cross-talking to plants.
J.Biol.Chem., 2020
7CDX
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COMPLEX STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SGHR WITH ITS EFFECTOR SUCROSE
Descriptor:LacI-type transcription factor, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Ye, F.Z., Wang, C., Yan, X.F., Zhang, L.H., Gao, Y.G.
Deposit date:2020-06-20
Release date:2020-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural basis of a novel repressor SghR controlling Agrobacterium infection by cross-talking to plants.
J.Biol.Chem., 2020
7CE1
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COMPLEX STRUCTURE OF TRANSCRIPTION FACTOR SGHR WITH ITS COGNATE DNA
Descriptor:LacI-type transcription factor, promoter DNA
Authors:Ye, F.Z., Wang, C., Yan, X.F., Zhang, L.H., Gao, Y.G.
Deposit date:2020-06-21
Release date:2020-07-15
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of a novel repressor SghR controlling Agrobacterium infection by cross-talking to plants.
J.Biol.Chem., 2020
6W35
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A NEW AUTOTAXIN INHIBITOR FOR THE TREATMENT OF IDIOPATHIC PULMONARY FIBROSIS: A CLINICAL CANDIDATE DISCOVERED USING DNA-ENCODED CHEMISTRY
Descriptor:Ectonucleotide pyrophosphatase/phosphodiesterase 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
6W7F
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STRUCTURE OF EED BOUND TO INHIBITOR 5285
Descriptor:Polycomb protein EED, 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL
Authors:Petrunak, E.M., Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
6W7G
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STRUCTURE OF EED BOUND TO INHIBITOR 1056
Descriptor:Polycomb protein EED, 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, SODIUM ION, ...
Authors:Petrunak, E.M., Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
6VIE
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STRUCTURE OF CASPASE-1 IN COMPLEX WITH GASDERMIN D
Descriptor:Caspase-1 subunit p20, Caspase-1 subunit p10, Gasdermin-D
Authors:Liu, Z., Xiao, T.S.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Caspase-1 Engages Full-Length Gasdermin D through Two Distinct Interfaces That Mediate Caspase Recruitment and Substrate Cleavage.
Immunity, 53, 2020
6W50
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor:Coagulation factor XI, methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
6W8R
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CRYSTAL STRUCTURE OF METACASPASE 4 C139A FROM ARABIDOPSIS
Descriptor:Metacaspase-4, SULFATE ION
Authors:Zhu, P., Yu, X.H., Wang, C., Zhang, Q., Liu, W., McSweeney, S., Shanklin, J., Lam, E., Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6W8S
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CRYSTAL STRUCTURE OF METACASPASE 4 FROM ARABIDOPSIS
Descriptor:Metacaspase-4, SULFATE ION
Authors:Zhu, P., Yu, X.H., Wang, C., Zhang, Q., Liu, W., McSweeney, S., Shanklin, J., Lam, E., Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6W8T
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CRYSTAL STRUCTURE OF METACASPASE 4 FROM ARABIDOPSIS (MICROCRYSTALS TREATED WITH CALCIUM)
Descriptor:Metacaspase-4, SULFATE ION
Authors:Zhu, P., Yu, X.H., Wang, C., Zhang, Q., Liu, W., McSweeney, S., Shanklin, J., Lam, E., Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6VWU
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X-RAY STRUCTURE OF ALKS 4230, A FUSION OF CIRCULARLY PERMUTED HUMAN INTERLEUKIN-2 AND INTERLEUKIN-2 RECEPTOR ALPHA
Descriptor:Interleukin-2,Interleukin-2 receptor subunit alpha
Authors:Losey, H.C.
Deposit date:2020-02-20
Release date:2020-04-29
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:ALKS 4230: a novel engineered IL-2 fusion protein with an improved cellular selectivity profile for cancer immunotherapy.
J Immunother Cancer, 8, 2020
6JWD
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STRUCTURE OF RET G-QUADRUPLEX IN COMPLEX WITH BERBERINE
Descriptor:DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), BERBERINE
Authors:Wang, F., Wang, C., Liu, Y., Lan, W.X., Li, Y.M., Wang, R.X., Cao, C.
Deposit date:2019-04-19
Release date:2020-04-22
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6JHZ
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CRYSTAL STRUCTURE OF CAS2
Descriptor:CRISPR-associated endoribonuclease Cas2, 5-mer peptide
Authors:Bi, M., Mo, X., Wang, C., Yuan, A.Y.
Deposit date:2019-02-19
Release date:2020-03-25
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural insight into endonuclease CRISPR-associated Cas2 protein
To be published
6K2H
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STRUCTURAL CHARACTERIZATION OF MUTATED NREA PROTEIN IN NITRATE BINDING SITE FROM STAPHYLOCOCCUS AUREUS.
Descriptor:NreA, 1,2-ETHANEDIOL
Authors:Sangare, L., Chen, W., Wang, C., Chen, X., Wu, M., Zhang, X., Zang, J.
Deposit date:2019-05-14
Release date:2020-03-11
Last modified:2020-04-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the conformational change of Staphylococcus aureus NreA at C-terminus.
Biotechnol.Lett., 42, 2020
6RGV
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TRUNCATED FLJB PHASE 2 FLAGELLIN
Descriptor:Flagellin
Authors:Lunelli, M., Lokareddy, R.K., Kolbe, M.
Deposit date:2019-04-17
Release date:2020-03-11
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methylation of Salmonella Typhimurium flagella promotes bacterial adhesion and host cell invasion.
Nat Commun, 11, 2020
6OWD
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ARGININE CONTAINING REENGINEERED COILED-COILED DIMER TO EXAMINE THE IMPACT OF PROXIMAL CATION IDENTITY ON HYDROPHOBICALLY-DRIVEN ASSEMBLY
Descriptor:R+7, CHLORIDE ION
Authors:Biok, N.A., Bingman, C.A., Gellman, S.H.
Deposit date:2019-05-09
Release date:2020-03-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Retention of Coiled-Coil Dimer Formation in the Absence of Ion Pairing at Positions Flanking the Hydrophobic Core.
Biochemistry, 58, 2019
6JWE
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STRUCTURE OF RET G-QUADRUPLEX IN COMPLEX WITH COLCHICINE
Descriptor:DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wang, F., Wang, C., Liu, Y., Lan, W.X., Li, Y.M., Wang, R.X., Cao, C.
Deposit date:2019-04-20
Release date:2020-02-26
Last modified:2020-03-04
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6LXT
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STRUCTURE OF POST FUSION CORE OF 2019-NCOV S2 SUBUNIT
Descriptor:Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Zhu, Y., Sun, F.
Deposit date:2020-02-11
Release date:2020-02-26
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
6JUI
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THE ATYPICAL MYB-LIKE PROTEIN CDC5 CONTAINS TWO DISTINCT NUCLEIC ACID-BINDING SURFACES
Descriptor:Pre-mRNA-splicing factor CEF1
Authors:Wang, C., Li, G., Li, M., Yang, J., Liu, J.
Deposit date:2019-04-14
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Two distinct nucleic acid binding surfaces of Cdc5 regulate development.
Biochem.J., 476, 2019
5QTV
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(2R,7S)-7-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-2-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-8,11-EPIMINO-1,9-BENZODIAZACYCLOTRIDECIN-14-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTW
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL (2R,7S)-7-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-14-[(METHOXYCARBONYL)AMINO]-2,3,4,5,6,7-HEXAHYDRO-1H-8,11-EPIMINO-1,9-BENZODIAZACYCLOTRIDECINE-2-CARBOXYLATE
Descriptor:Coagulation factor XI, methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTX
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR ETHYL (2R,7S)-7-({(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-14-[(METHOXYCARBONYL)AMINO]-1,2,3,4,5,6,7,9-OCTAHYDRO-11,8-(AZENO)-1,9-BENZODIAZACYCLOTRIDECINE-2-CARBOXYLATE
Descriptor:Coagulation factor XI, ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
167327
數據於2020-08-05公開中