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Mine: Large structure entries

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
Method:X-RAY DIFFRACTION (1 Å)
Cite:Salmonella typhimurium mutant neuraminidase (D100S)+ DANA
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
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
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6TPZ
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-DIMETHOXYPROPAN-2-YL)-5-MORPHOLINO-1H-BENZO[D]IMIDAZOL-2-YL)-1,3-DIMETHYLPYRIDIN-2(1H)-ONE
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6S5V
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CRYSTAL STRUCTURE OF THE CAP-MIDLINK REGION OF THE H5N1 INFLUENZA A VIRUS POLYMERASE IN COMPLEX WITH A CAP-DOMAIN BINDING ANALOGUE
Descriptor:Polymerase basic protein 2, (1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid, GLYCEROL, ...
Authors:Keown, J.R., Fodor, E., Grimes, J.M.
Deposit date:2019-07-02
Release date:2019-11-06
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region.
J.Med.Chem., 62, 2019
6SXU
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GH51 A-L-ARABINOFURANOSIDASE SOAKED WITH CYCLIC SULFATE INHIBITOR
Descriptor:Intracellular exo-alpha-(1->5)-L-arabinofuranosidase, [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate, DI(HYDROXYETHYL)ETHER, ...
Authors:McGregor, N.G.S., Davies, G.J.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
4UE3
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THE MECHANISM OF HYDROGEN ACTIVATION BY NIFE-HYDROGENASES AND THE IMPORTANCE OF THE ACTIVE SITE ARGININE
Descriptor:Hydrogenase-1 small chain, Hydrogenase-1 large chain, IRON/SULFUR CLUSTER, ...
Authors:Evans, R.M., Wehlin, S.A.M., Nomerotskaia, E., Sargent, F., Carr, S.B., Phillips, S.E.V., Armstrong, F.A.
Deposit date:2014-12-15
Release date:2014-12-24
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of Hydrogen Activation by [Nife] Hydrogenases.
Nat.Chem.Biol., 12, 2016
6KEL
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN APO-FORM
Descriptor:Glutathione S-transferase E14, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Koiwai, K., Inaba, K., Morohashi, K., Yumoto, F., Senda, T., Niwa, R.
Deposit date:2019-07-04
Release date:2019-10-02
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Integrative in silico, in vitro, and in vivo functional analysis of the insect steroidgenic regulator, noppera-bo.
To Be Published
6XVX
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X-RAY STRUCTURE OBTAINED UPON REACTION OF DIRHODIUM TETRAACETATE WITH RNASE A (HIGH RESOLUTION)
Descriptor:Ribonuclease pancreatic, ACETATE ION, RHODIUM(III) ION
Authors:Merlino, A., Ferraro, G.
Deposit date:2020-01-22
Release date:2020-02-19
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protein interactions of dirhodium tetraacetate: a structural study.
Dalton Trans, 49, 2020
6Y0S
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X-RAY STRUCTURE OF LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE MUTANT T102E
Descriptor:R-specific alcohol dehydrogenase, MAGNESIUM ION
Authors:Hermann, J., Bischoff, D., Janowski, R., Niessing, D., Grob, P., Hekmat, D., Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E (to be updated)
To Be Published
4V4M
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1.45 ANGSTROM STRUCTURE OF STNV COAT PROTEIN
Descriptor:Coat protein, CALCIUM ION
Authors:Lane, S.W., Dennis, C.A., Lane, C.L., Trinh, C.H., Rizkallah, P.J., Stockley, P.G., Phillips, S.E.V.
Deposit date:2011-04-28
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Construction and crystal structure of recombinant STNV capsids.
J.Mol.Biol., 413, 2011
6TPX
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-ACETYLPIPERIDIN-4-YL)METHYL)-2-(4-HYDROXY-3,5-DIMETHYLPHENYL)-N-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
Descriptor:Bromodomain-containing protein 4, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, 1,2-ETHANEDIOL
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6T29
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CRYSTAL STRUCTURE OF HUMAN CALMODULIN-DEPENDENT PROTEIN KINASE 1D (CAMK1D) BOUND TO COMPOUND 21 (CS587)
Descriptor:Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Kraemer, A., Sorrell, F., Butterworth, S., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:CAMK1D bound to CS640
To Be Published
6KEM
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN APO-FORM 2
Descriptor:Glutathione S-transferase E14
Authors:Koiwai, K., Inaba, K., Morohashi, K., Yumoto, F., Niwa, R., Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Integrative in silico, in vitro, and in vivo functional analysis of the insect steroidgenic regulator, noppera-bo.
To Be Published
6TT5
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CRYSTAL STRUCTURE OF DCLRE1C/ARTEMIS
Descriptor:Protein artemis, 1,2-ETHANEDIOL, ZINC ION, ...
Authors:Yosaatmadja, Y., Goubin, S., Newman, J.A., Mukhopadhyay, S.M.M., Dannerfjord, A.A., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Deposit date:2019-12-23
Release date:2020-02-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of DCLRE1C/Artemis
To Be Published
6KEP
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN 17BETA-ESTRADIOL- AND GLUTATHIONE-BOUND FORM
Descriptor:Glutathione S-transferase E14, GLUTATHIONE, ESTRADIOL
Authors:Koiwai, K., Inaba, K., Morohashi, K., Yumoto, F., Niwa, R., Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Integrative in silico, in vitro, and in vivo functional analysis of the insect steroidgenic regulator, noppera-bo.
To Be Published
6T28
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CRYSTAL STRUCTURE OF HUMAN CALMODULIN-DEPENDENT PROTEIN KINASE 1D (CAMK1D) BOUND TO COMPOUND 22 (CS640)
Descriptor:Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Kraemer, A., Sorrell, F., Butterworth, S., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:CAMK1D bound to CS640
To Be Published
6XTJ
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THE HIGH RESOLUTION STRUCTURE OF THE FERM DOMAIN OF HUMAN FERMT2
Descriptor:Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2, CITRIC ACID
Authors:Bradshaw, W.J., Katis, V.L., Newman, J.A., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Deposit date:2020-01-16
Release date:2020-02-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structure of the FERM domain of human FERMT2
To Be Published
6SWO
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH IBET-BD1 (GSK778)
Descriptor:Bromodomain-containing protein 2, 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, 1,2-ETHANEDIOL
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6SWQ
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-BD2 (GSK046)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6V41
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CRYTAL STRUCTURE OF CDY1 CHROMODOMAIN BOUND TO H3K9ME3
Descriptor:Testis-specific chromodomain protein Y 1, Histone H3.1 Peptide, UNKNOWN ATOM OR ION
Authors:Qin, S., Tempel, W., Walker, J.R., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Min, J., Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-11-27
Release date:2019-12-25
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:crytal structure of CDY1 chromodomain bound to H3K9me3
To Be Published
6SWP
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH IBET-BD2 (GSK046)
Descriptor:Bromodomain-containing protein 2, 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
Authors:Chung, C.
Deposit date:2019-09-22
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Selective targeting of BD1 and BD2 of the BET proteins in cancer and immuno-inflammation.
Science, 2020
6TID
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STRUCTURE OF THE N TERMINAL DOMAIN OF BC2L-C LECTIN (1-131) IN COMPLEX WITH H-TYPE 1 ANTIGEN
Descriptor:Lectin, ALPHA-L-FUCOSE, BETA-D-GALACTOSE, ...
Authors:Varrot, A., Bermeo, R.
Deposit date:2019-11-22
Release date:2020-01-22
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020