6XQN | | 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
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6XQO | | 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
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7CDV | | 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
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7CDX | | 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
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7CE1 | | 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
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6W35 | | 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
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6W7F | | 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
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6W7G | | 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
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6VIE | | 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
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6W50 | | 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
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6W8R | | 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
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6W8S | | 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
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6W8T | | 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
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6VWU | |
6JWD | | 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
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6JHZ | | 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
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6K2H | | 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
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6RGV | |
6OWD | |
6JWE | | 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
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6LXT | | 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
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6JUI | | 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
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5QTV | | 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
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5QTW | | 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
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5QTX | | 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
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