Author results

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
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., 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
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., 2019
6KV5
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STRUCTURE OF INFLUENZA D VIRUS APO POLYMERASE
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:2019-09-03
Release date:2019-10-02
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of influenza D virus apo polymerase
To be published
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
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
6KUV
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STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO CRNA PROMOTER IN CLASS 2
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 polymerase bound to cRNA promoter in Mode B conformation
To Be Published
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
6S8G
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CRYO-EM STRUCTURE OF LPTB2FGC IN COMPLEX WITH AMP-PNP
Descriptor:Lipopolysaccharide ABC transporter, ATP-binding protein LptB, LPS export ABC transporter permease LptF, ...
Authors:Tang, X.D., Chang, S.H., Luo, Q.H., Zhang, Z.Y., Qiao, W., Xu, C.H., Zhang, C.B., Niu, Y., Yang, W.X., Wang, T., Zhang, Z.B., Zhu, X.F., Dong, C.J., Zhang, X., Dong, H.H.
Deposit date:2019-07-10
Release date:2019-09-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8H
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CRYO-EM STRUCTURE OF LPTB2FG IN COMPLEX WITH LPS
Descriptor:Lipopolysaccharide ABC transporter, ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ...
Authors:Tang, X.D., Chang, S.H., Luo, Q.H., Zhang, Z.Y., Qiao, W., Xu, C.H., Zhang, C.B., Niu, Y., Yang, W.X., Wang, T., Zhang, Z.B., Zhu, X.F., Dong, C.J., Zhang, X., Dong, H.H.
Deposit date:2019-07-10
Release date:2019-09-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8N
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CRYO-EM STRUCTURE OF LPTB2FGC IN COMPLEX WITH LIPOPOLYSACCHARIDE
Descriptor:Lipopolysaccharide ABC transporter, ATP-binding protein LptB, Lipopolysaccharide export system protein LptC, ...
Authors:Tang, X.D., Chang, S.H., Luo, Q.H., Zhang, Z.Y., Qiao, W., Xu, C.H., Zhang, C.B., Niu, Y., Yang, W.X., Wang, T., Zhang, Z.B., Zhu, X.F., Dong, C.J., Zhang, X., Dong, H.H.
Deposit date:2019-07-10
Release date:2019-09-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
5QQO
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(5E,8S)-8-[(6R)-6-(3-CHLOROPHENYL)-2-OXO-1,3-OXAZINAN-3-YL]-2-OXO-1,3,4,7,8,10-HEXAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, ...
Authors:Sheriff, S.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
5QQP
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(5E,8S)-8-[(4S)-4-(3-CHLOROPHENYL)-2-OXOPIPERIDIN-1-YL]-2-OXO-1,3,4,7,8,10-HEXAHYDRO-2H-12,9-(AZENO)-1,10-BENZODIAZACYCLOTETRADECIN-15-YL]CARBAMATE
Descriptor:Coagulation factor XI, methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
6OZE
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN ENDONUCLEASE V (C140S/C225S/C226A/C228S)
Descriptor:Endonuclease V, ACETATE ION, GLYCEROL, ...
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZF
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CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA (TM) ENDONUCLEASE V (D110N) IN COMPLEX WITH A 12MER DNA CONTAINING AN INOSINE FOLLOWED BY A RIBO-ADENOSINE
Descriptor:Endonuclease V, DNA/RNA (5'-D(P*AP*AP*TP*GP*I)-R(P*A)-D(P*GP*AP*TP*GP*CP*T)-3'), CALCIUM ION, ...
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZG
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CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA (TM) ENDONUCLEASE V (E89Q) IN COMPLEX WITH A 12MER DNA CONTAINING AN INOSINE FOLLOWED BY A RIBO-ADENOSINE
Descriptor:Endonuclease V, DNA/RNA (5'-D(*AP*AP*TP*GP*A)-R(P*A)-D(P*GP*AP*T)-R(P*NP*N)-D(P*T)-3'), MAGNESIUM ION, ...
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZH
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CRYSTAL STRUCTURE OF CIONA INTESTINALIS (CI) ENDONUCLEASE V IN COMPLEX WITH A 24MER DNA CONTAINING AN INOSINE FOLLOWED BY A RIBO-ADENOSINE
Descriptor:endonuclease V isoform X2, DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3'), CALCIUM ION
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.026 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZI
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CRYSTAL STRUCTURE OF CIONA INTESTINALIS (CI) ENDONUCLEASE V (D234N) IN COMPLEX WITH A 23MER DNA CONTAINING AN INOSINE FOLLOWED BY A RIBO-ADENOSINE
Descriptor:endonuclease V isoform X2, DNA/RNA (23-MER), POTASSIUM ION, ...
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZJ
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CRYSTAL STRUCTURE OF MUS MUSCULUS (MM) ENDONUCLEASE V IN COMPLEX WITH A 23MER RNA OLIGO CONTAINING AN INOSINE IN THE ABSENCE OF DIVALENT CATION
Descriptor:Endonuclease V, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), GLYCEROL, ...
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZK
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CRYSTAL STRUCTURE OF MUS MUSCULUS (MM) ENDONUCLEASE V IN COMPLEX WITH A 23MER RNA OLIGO CONTAINING AN INOSINE AFTER 68H SOAK IN CA2+
Descriptor:Endonuclease V, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), CALCIUM ION, ...
Authors:Samara, N.L., Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019