Author results

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
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 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
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 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
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 2020
5QTY
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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)-15-[(METHOXYCARBONYL)AMINO]-2,3,4,5,6,7-HEXAHYDRO-1H-12,8-(METHENO)-1,9-BENZODIAZACYCLOTETRADECINE-2-CARBOXYLATE
Descriptor:Coagulation factor XI, ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-11-13
Release date:2020-01-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 2020
6OEM
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 PRC COMPLEX (DNA0)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (57-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6OEN
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 PRC COMPLEX (DNA1)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (57-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6OEO
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 NFC COMPLEX (DNA1)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (46-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6OEP
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 12RSS-NFC/23RSS-PRC COMPLEX (DNA1)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (46-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6OEQ
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 12RSS-PRC/23RSS-NFC COMPLEX (DNA1)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (57-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6OER
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 NFC COMPLEX (DNA2)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (46-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6V0V
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CRYO-EM STRUCTURE OF MOUSE WT RAG1/2 NFC COMPLEX (DNA0)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (30-MER), ...
Authors:Chen, X., Yang, W., Gellert, M.
Deposit date:2019-11-19
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 2020
6OES
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 STC COMPLEX (WITHOUT NBD DOMAIN)
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (35-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structure of mouse RAG1/2 STC (without NBD domain)
To Be Published
6OET
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CRYO-EM STRUCTURE OF MOUSE RAG1/2 STC COMPLEX
Descriptor:V(D)J recombination-activating protein 1, V(D)J recombination-activating protein 2, DNA (50-MER), ...
Authors:Chen, X., Cui, Y., Zhou, Z.H., Yang, W., Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of mouse RAG1/2 STC complex
To Be Published
5QTT
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(3R,7S)-7-{[5-AMINO-1-(3-CHLORO-2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONYL]AMINO}-3-METHYL-2-OXO-2,3,4,5,6,7-HEXAHYDRO-1H-12,8-(METHENO)-1,9-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-10-16
Release date:2019-12-25
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
5QTU
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(3R,7S)-7-{[1-(3-CHLORO-2-FLUOROPHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBONYL]AMINO}-3-METHYL-2-OXO-2,3,4,5,6,7-HEXAHYDRO-1H-12,8-(METHENO)-1,9-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-10-16
Release date:2019-12-25
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
6KUU
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO VRNA PROMOTER IN MODE B CONFORMATION (CLASS B3)
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-09-02
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3)
To Be Published
6IQT
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CRYSTAL STRUCTURE OF CAGV, A VIRB8 HOMOLOG OF T4SS FROM HELICOBACTER PYLORI STRAIN 26695
Descriptor:Cag pathogenicity island protein (Cag10)
Authors:Wu, X., Zhao, Y., Sun, L., Jiang, M., Wang, Q., Wang, Q., Yang, W., Wu, Y.
Deposit date:2018-11-08
Release date:2019-11-13
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Crystal structure of CagV, the Helicobacter pylori homologue of the T4SS protein VirB8.
Febs J., 286, 2019
6KKR
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HUMAN KCC1 STRUCTURE DETERMINED IN KCL AND DETERGENT GDN
Descriptor:Solute carrier family 12 member 4, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION, ...
Authors:Liu, S., Chang, S., Ye, S., Bai, X., Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2019-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KKT
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HUMAN KCC1 STRUCTURE DETERMINED IN KCL AND LIPID NANODISC
Descriptor:Solute carrier family 12 member 4, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION, ...
Authors:Liu, S., Chang, S., Ye, S., Bai, X., Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2019-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KKU
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HUMAN KCC1 STRUCTURE DETERMINED IN NACL AND GDN
Descriptor:Solute carrier family 12 member 4, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION, ...
Authors:Liu, S., Chang, S., Ye, S., Bai, X., Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2019-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KUJ
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO CRNA PROMOTER IN CLASS 1
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation
NAT NANOTECHNOL, 2019
6KUK
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO VRNA PROMOTER IN MODE A CONFORMATION (CLASS A1)
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of influenza D virus polymerase bound to vRNA promoter in mode A conformation (class A1)
To Be Published
6KUP
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO VRNA PROMOTER IN MODE A CONFORMATION(CLASS A2)
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of influenza D virus polymerase bound to vRNA promoter in Mode A conformation(Class A2)
To Be Published
6KUR
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO VRNA PROMOTER IN MODE B CONFORMATION (CLASS B1)
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B1)
To Be Published
6KUT
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO VRNA PROMOTER IN MODE B CONFORMATION (CLASS B2)
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:structure of influenza D virus apo polymerase
To Be Published