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Mine: Large structure entries

6TN1
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UNLIGANDED CRYSTAL STRUCTURE OF RECOMBINANT GBA
Descriptor:Lysosomal acid glucosylceramidase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMINE, ...
Authors:Rowland, R.J., Davies, G.J.
Deposit date:2019-12-05
Release date:2020-06-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TRG
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SALMONELLA TYPHIMURIUM NEURAMINIDASE MUTANT (D100S)
Descriptor:Sialidase, GLYCEROL, PHOSPHATE ION
Authors:Garman, E.F., Salinger, M.T., Murray, J.W., Laver, W.G., Kuhn, P., Vimr, E.R.
Deposit date:2019-12-18
Release date:2020-01-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Salmonella typhimurium neuraminidase mutant (D100S)
To Be Published
6TVI
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SALMONELLA TYPHIMURIUM MUTANT NEURAMINIDASE (D100S)+ DANA
Descriptor:Sialidase, GLYCEROL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Authors:Garman, E.F., Salinger, M.T., Murray, J.W., Laver, W.G., Kuhn, P., Vimr, E.R.
Deposit date:2020-01-09
Release date:2020-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Salmonella typhimurium mutant neuraminidase (D100S)+ DANA
To Be Published
6YQM
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HUMAN HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 1 (HHINT1) COMPLEXED WITH DGMP AND REFINED TO 1.02 A
Descriptor:Histidine triad nucleotide-binding protein 1, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER
Authors:Dolot, R.D., Seda, A., Nawrot, B.C.
Deposit date:2020-04-17
Release date:2020-04-29
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The histidine nucleotide-binding protein 2 forms a complex with the non-hydrolyzable analogue of Ap4A -biochemical, biophysical and structural studies of the enzyme.
To Be Published
6TIH
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STRUCTURE OF A. NIGER FDC WT IN COMPLEX WITH BENZOTHIOPHENE 2 CARBOXYLIC ACID
Descriptor:Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.021 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO2fixation.
Nat.Chem.Biol., 2020
6TIE
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STRUCTURE OF A. NIGER FDC I327S VARIANT IN COMPLEX WITH INDOL-2-CARBOXYLIC ACID
Descriptor:Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO2fixation.
Nat.Chem.Biol., 2020
6TIB
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STRUCTURE OF A. NIGER FDC I327S VARIANT IN COMPLEX WITH 2 NAPHTHOIC ACID
Descriptor:Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO2fixation.
Nat.Chem.Biol., 2020
6YPZ
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PROMISCUOUS REDUCTASE LUGOII CATALYZES KETO-REDUCTION AT C1 DURING LUGDUNOMYCIN BIOSYNTHESIS
Descriptor:Monooxygenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1,2-ETHANEDIOL, ...
Authors:Xiao, X., Elsayed, S.S., Wu, C., van der Heul, H., Prota, A., Huang, J., Guo, R., Abrahams, J.P., van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 2020
6YQ0
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PROMISCUOUS REDUCTASE LUGOII CATALYZES KETO-REDUCTION AT C1 DURING LUGDUNOMYCIN BIOSYNTHESIS
Descriptor:Monooxygenase, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xiao, X., Elsayed, S.S., Wu, C., van der Heul, H., Prota, A., Huang, J., Guo, R., Abrahams, J.P., van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 2020
6ZED
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH COMPOUND F1
Descriptor:Bromodomain-containing protein 4, 4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine, 1,2-ETHANEDIOL
Authors:Krojer, T., Martinez-Cartro, M., Picaud, S., Filippakopoulos, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Barril, X., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2020-06-16
Release date:2020-07-29
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
To Be Published
6XY7
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HUMAN SHIP1 WITH MAGNESIUM AND PHOSPHATE BOUND TO THE ACTIVE SITE
Descriptor:Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bradshaw, W.J., Scacioc, A., Fernandez-Cid, A., Mckinley, G., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Gileadi, O.
Deposit date:2020-01-29
Release date:2020-02-26
Method:X-RAY DIFFRACTION (1.086 Å)
Cite:Human SHIP1 with magnesium and phosphate bound to the active site
To Be Published
6TIJ
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STRUCTURE OF A. NIGER FDC WT IN COMPLEX WITH INDOL-2-CARBOXYLIC ACID
Descriptor:Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO2fixation.
Nat.Chem.Biol., 2020
6ZEL
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH COMPOUND F5
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
Authors:Krojer, T., Martinez-Cartro, M., Picaud, S., Filippakopoulos, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Barril, X., von Delft, F.
Deposit date:2020-06-16
Release date:2020-07-29
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F5
To Be Published
6TWP
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BINDING DOMAIN OF BONT/A5
Descriptor:Botulinum neurotoxin A5, CHLORIDE ION
Authors:Davies, J.R., Acharya, K.R.
Deposit date:2020-01-13
Release date:2020-07-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6.
Febs Open Bio, 2020
6XWK
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CRYSTAL STRUCTURE OF PHORMIDIUM RUBIDUM PHYCOCYANIN
Descriptor:Phycocyanin alpha subunit, Phycocyanin beta subunit, PHYCOCYANOBILIN, ...
Authors:Sonani, R.R., Roszak, A.W., Cogdell, R.J., Madamwar, D., Liu, H., Gross, M.L., Blankenship, R.E.
Deposit date:2020-01-23
Release date:2020-04-29
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Revisiting high-resolution crystal structure of Phormidium rubidum phycocyanin.
Photosyn. Res., 144, 2020
6YP1
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HICEL7B UNLIGANDED
Descriptor:Endoglucanase 1, GLYCEROL, SULFATE ION, ...
Authors:McGregor, N.G.S., Davies, G.J.
Deposit date:2020-04-15
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases
Chem.Biol., 2020
6ZF9
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH COMPOUND SSR4
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
Authors:Krojer, T., Martinez-Cartro, M., Picaud, S., Filippakopoulos, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Barril, X., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2020-06-16
Release date:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
To Be Published
6Y01
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THE STRUCTURE OF THE MOLYBDENUM COFACTOR BINDING PROTEIN FROM THE PHOTOTROPHIC BACTERIUM RIPPKAEA ORIENTALIS
Descriptor:p450 cytochrome, putative, IMIDAZOLE, ...
Authors:Krausze, J.
Deposit date:2020-02-05
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:The structure of the Moco carrier protein from Rippkaea orientalis.
Acta Crystallogr.,Sect.F, 76, 2020
6Z3V
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A4V MUTANT OF HUMAN SOD1 BOUND WITH N-ARYL BENZOISOSELENAZOLONE DERIVATIVE 13 IN P21 SPACE GROUP
Descriptor:Superoxide dismutase [Cu-Zn], ZINC ION, 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, ...
Authors:Amporndanai, K., Hasnain, S.S.
Deposit date:2020-05-22
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6YPR
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HUMAN HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2 (HHINT2) REFINED TO 1.26 A IN H32 SPACE GROUP
Descriptor:Histidine triad nucleotide-binding protein 2, mitochondrial, GLYCEROL
Authors:Dolot, R.D., Wlodarczyk, A., Bujacz, G.D., Nawrot, B.C.
Deposit date:2020-04-16
Release date:2020-04-29
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:The histidine nucleotide-binding protein 2 forms a complex with the non-hydrolyzable analogue of Ap4A -biochemical, biophysical and structural studies of the enzyme.
To be published
6Z7M
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-CYCLOHEXYL-4-((3-METHYL-2-OXO-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-8-YL)AMINO)PIPERIDINE-3-CARBOXAMIDE
Descriptor:Bromodomain-containing protein 4, (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
Authors:Chung, C.
Deposit date:2020-05-31
Release date:2020-07-29
Last modified:2020-09-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 63, 2020
6SL9
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HIGH RESOLUTION APO STRUCTURE OF ISOMERASE PAAG
Descriptor:Enoyl-CoA hydratase/carnithine racemase, GLYCEROL
Authors:Saleem-Batcha, R., Spieker, M., Teufel, R.
Deposit date:2019-08-19
Release date:2019-12-11
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
6SWN
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-BD1 (GSK778)
Descriptor:Bromodomain-containing protein 4, GLUTAMIC ACID, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, ...
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6TIN
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STRUCTURE OF A. NIGER FDC WT IN COMPLEX WITH FMN AND INDOLE 2 CARBOXYLIC ACID
Descriptor:Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO2fixation.
Nat.Chem.Biol., 2020
6TIC
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STRUCTURE OF A. NIGER FDC I327S VARIANT IN COMPLEX WITH BENZOTHIOPHENE 2 CARBOXYLIC ACID
Descriptor:Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.281 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO2fixation.
Nat.Chem.Biol., 2020
169117
PDB entries from 2020-09-23