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6DKK
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STRUCTURE OF BONT
Descriptor:Botulinum neurotoxin type A, PHOSPHATE ION
Authors:Lam, K., Jin, R.
Deposit date:2018-05-29
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
6MHJ
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STRUCTURE OF BONT MUTANT
Descriptor:Botulinum neurotoxin type A, PHOSPHATE ION
Authors:Lam, K., Jin, R.
Deposit date:2018-09-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (3.019 Å)
Cite:A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
6D7C
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THE CRYSTAL STRUCTURE OF HEMAGGLUTININ FROM A/HONG KONG/61/2016 H7N9 INFLUENZA VIRUS
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, N-ACETYL-D-GLUCOSAMINE
Authors:Yang, H., Stevens, J.
Deposit date:2018-04-24
Release date:2018-05-30
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018
6D7U
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THE CRYSTAL STRUCTURE OF HEMAGGLUTININ FROM A/GUANGDONG/17SF003/2016 H7N9 INFLUENZA VIRUS
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, N-ACETYL-D-GLUCOSAMINE
Authors:Yang, H., Stevens, J.
Deposit date:2018-04-25
Release date:2018-05-30
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018
6D8B
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THE CRYSTAL STRUCTURE OF HEMAGGLUTININ FROM A/HONG KONG/125/2017 H7N9 INFLUENZA VIRUS
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, N-ACETYL-D-GLUCOSAMINE
Authors:Yang, H., Stevens, J.
Deposit date:2018-04-26
Release date:2018-05-30
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018
6D8D
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THE CRYSTAL STRUCTURE OF HEMAGGLUTININ FROM A/HONG KONG/125/2017 INFLUENZA VIRUS IN COMPLEX WITH LSTB
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Yang, H., Stevens, J.
Deposit date:2018-04-26
Release date:2018-05-30
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018
5PGU
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-FLUOROPHENYL)-2-ADAMANTYL]-1-(3-METHOXYAZETIDIN-1-YL)ETHANONE
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGV
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGW
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGX
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGY
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGZ
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CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, ...
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5L14
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THE CRYSTAL STRUCTURE OF NEURAMINIDASE FROM A/SHANGHAI/2/2013 (H7N9) INFLUENZA VIRUS
Descriptor:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Yang, H., Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L15
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THE CRYSTAL STRUCTURE OF NEURAMINIDASE IN COMPLEX WITH OSELTAMIVIR FROM A/SHANGHAI/2/2013 (H7N9) INFLUENZA VIRUS
Descriptor:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Yang, H., Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L17
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THE CRYSTAL STRUCTURE OF NEURAMINIDASE IN COMPLEX WITH ZANAMIVIR FROM A/SHANGHAI/2/2013 (H7N9) INFLUENZA VIRUS
Descriptor:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Yang, H., Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L18
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THE CRYSTAL STRUCTURE OF NEURAMINIDASE IN COMPLEX WITH SIALIC ACID FROM A/SHANGHAI/2/2013 (H7N9) INFLUENZA VIRUS
Descriptor:Neuraminidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Yang, H., Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5MEI
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CRYSTAL STRUCTURE OF AGELASTATIN A BOUND TO THE 80S RIBOSOME
Descriptor:25S ribosomal RNA, 5S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:McClary, B., Zinshteyn, B., Meyer, M., Jouanneau, M., Pellegrino, S., Yusupova, G., Schuller, A., Reyes, J.C.P., Lu, J., Luo, C., Dang, Y., Romo, D., Yusupov, M., Green, R., Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
5VKQ
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STRUCTURE OF A MECHANOTRANSDUCTION ION CHANNEL DROSOPHILA NOMPC IN NANODISC
Descriptor:No mechanoreceptor potential C isoform L, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE
Authors:Jin, P., Bulkley, D., Guo, Y., Zhang, W., Guo, Z., Huynh, W., Wu, S., Meltzer, S., Chen, T., Jan, L.Y., Jan, Y.-N., Cheng, Y.
Deposit date:2017-04-22
Release date:2017-06-28
Last modified:2017-09-20
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Electron cryo-microscopy structure of the mechanotransduction channel NOMPC.
Nature, 547, 2017
5G5J
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CRYSTAL STRUCTURE OF HUMAN CYP3A4 BOUND TO METFORMIN
Descriptor:CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
5X8F
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TERNARY COMPLEX STRUCTURE OF A DOUBLE MUTANT I454RA456K OF O-SUCCINYLBENZOATE COA SYNTHETASE (MENE) FROM BACILLUS SUBTILIS BOUND WITH AMP AND ITS PRODUCT ANALOGUE OSB-NCOA AT 1.76 ANGSTROM
Descriptor:2-succinylbenzoate--CoA ligase, o-succinylbenzoyl-N-coenzyme A, ADENOSINE MONOPHOSPHATE, ...
Authors:Chen, Y., Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5X8G
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BINARY COMPLEX STRUCTURE OF A DOUBLE MUTANT I454RA456K OF O-SUCCINYLBENZOATE COA SYNTHETASE (MENE) FROM BACILLUS SUBTILIS BOUND WITH ITS PRODUCT ANALOGUE OSB-NCOA AT 1.90 ANGSTROM
Descriptor:2-succinylbenzoate--CoA ligase, o-succinylbenzoyl-N-coenzyme A, MAGNESIUM ION, ...
Authors:Chen, Y., Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5GTD
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O-SUCCINYLBENZOATE COA SYNTHETASE (MENE) FROM BACILLUS SUBTILIS IN COMPLEX WITH THE ACYL-ADENYLATE INTERMEDIATE OSB-AMP
Descriptor:2-succinylbenzoate--CoA ligase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, Y., Guo, Z.
Deposit date:2016-08-20
Release date:2017-01-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic Insights from the Crystal Structure of Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase Complexed with the Adenylate Intermediate
Biochemistry, 55, 2016
5GNG
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CRYSTAL STRUCTURE OF BIOG FROM HAEMOPHILUS INFLUENZAE AT 1.26 ANGSTROMS RESOLUTION
Descriptor:Uncharacterized protein HI_1552
Authors:Shi, J., Guo, Z.
Deposit date:2016-07-20
Release date:2016-12-07
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:An Atypical alpha / beta-Hydrolase Fold Revealed in the Crystal Structure of Pimeloyl-Acyl Carrier Protein Methyl Esterase BioG from Haemophilus influenzae
Biochemistry, 55, 2016
5H3B
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CRYSTAL STRUCTURE OF SEMET-BIOG FROM HAEMOPHILUS INFLUENZAE AT 1.49 ANGSTROMS RESOLUTION
Descriptor:Uncharacterized protein HI_1552, GLYCEROL, ISOPROPYL ALCOHOL
Authors:Shi, J., Guo, Z.
Deposit date:2016-10-21
Release date:2016-12-07
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:An Atypical alpha / beta-Hydrolase Fold Revealed in the Crystal Structure of Pimeloyl-Acyl Carrier Protein Methyl Esterase BioG from Haemophilus influenzae
Biochemistry, 55, 2016
5HI3
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BINDING SITE ELUCIDATION AND STRUCTURE GUIDED DESIGN OF MACROCYCLIC IL-17A ANTAGONISTS
Descriptor:Interleukin-17A, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016