Author results

7CBN
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CRYSTAL STRUCTURE OF BETA-N-ACETYLHEXOSAMINIDASE AM0868 FROM AKKERMANSIA MUCINIPHILA
Descriptor:Beta-N-acetylhexosaminidase, MALONIC ACID, GLYCEROL
Authors:Xu, W., Wang, M., Zhang, M.
Deposit date:2020-06-13
Release date:2020-08-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical analyses of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila involved in mucin degradation.
Biochem.Biophys.Res.Commun., 529, 2020
7CBO
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CRYSTAL STRUCTURE OF BETA-N-ACETYLHEXOSAMINIDASE AM0868 FROM AKKERMANSIA MUCINIPHILA IN COMPLEX WITH GLCNAC
Descriptor:Beta-N-acetylhexosaminidase, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Xu, W., Wang, M., Zhang, M.
Deposit date:2020-06-13
Release date:2020-08-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and biochemical analyses of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila involved in mucin degradation.
Biochem.Biophys.Res.Commun., 529, 2020
6WYA
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RTX (REVERSE TRANSCRIPTION XENOPOLYMERASE) IN COMPLEX WITH A DNA DUPLEX AND DAMPNPP
Descriptor:DNA polymerase, DNA strand 1, DNA strand 2, ...
Authors:Choi, W.S., He, P., Pothukuchy, A., Gollihar, J., Ellington, A.D., Yang, W.
Deposit date:2020-05-12
Release date:2020-08-19
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WYB
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RTX (REVERSE TRANSCRIPTION XENOPOLYMERASE) IN COMPLEX WITH AN RNA/DNA HYBRID
Descriptor:DNA polymerase, RNA strand, DNA strand, ...
Authors:Choi, W.S., He, P., Pothukuchy, A., Gollihar, J., Ellington, A.D., Yang, W.
Deposit date:2020-05-12
Release date:2020-08-19
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BVV
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CRYSTAL STRUCTURE OF SULFONIC PEROXIREDOXIN AHP1 IN COMPLEX WITH THIOREDOXIN TRX2
Descriptor:Peroxiredoxin AHP1, Thioredoxin-2
Authors:Lian, F.M., Jiang, Y.L., Yang, W., Yang, X.
Deposit date:2020-04-11
Release date:2020-07-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2 mimics a conformational intermediate during the catalytic cycle.
Int.J.Biol.Macromol., 161, 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
6Y1Y
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CHEA DIMERIZATION DOMAIN OF TREPONEMA DENTICOLA
Descriptor:CheA
Authors:Muok, A.R., Briegel, A., Crane, B.R.
Deposit date:2020-02-14
Release date:2020-10-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The novel chemotaxis arrangement in the Spirochete Treponema denticola
To Be Published
6LOM
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STRUCTURE OF CLHM1 FROM CAENORHABDITIS ELEGANS
Descriptor:Calcium homeostasis modulator protein
Authors:Yang, W.X., Wang, Y.W., Zhang, X.C.
Deposit date:2020-01-06
Release date:2020-07-29
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Cryo-electron microscopy structure of CLHM1 ion channel from Caenorhabditis elegans.
Protein Sci., 29, 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:2020-02-26
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
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
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
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
6LAE
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CRYSTAL STRUCTURE OF THE DNA-BINDING DOMAIN OF HUMAN XPA IN COMPLEX WITH DNA
Descriptor:DNA repair protein complementing XP-A cells, DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), ...
Authors:Lian, F.M., Yang, X., Jiang, Y.L., Yang, F., Li, C., Yang, W., Qian, C.
Deposit date:2019-11-12
Release date:2020-02-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA.
Int.J.Biol.Macromol., 148, 2020
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
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
6SM8
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HUMAN JAK1 KINASE DOMAIN IN COMPLEX WITH INHIBITOR
Descriptor:Tyrosine-protein kinase JAK1, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, 1,2-ETHANEDIOL
Authors:Read, J.A., Steuber, H.
Deposit date:2019-08-21
Release date:2020-04-29
Last modified:2020-05-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
170383
PDB entries from 2020-10-28