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Mine: Large structure entries

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
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., 2019
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
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
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
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
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
6KEO
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN 17BETA-ESTRADIOL-BOUND FORM
Descriptor:Glutathione S-transferase E14, ESTRADIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
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 (1.58 Å)
Cite:Integrative in silico, in vitro, and in vivo approach unravels an essential amino acid for the function of the insect steroidgenic regulator.
To Be Published
6UHG
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CRYTAL STRUCTURE OF CDY1 CHROMODOMAIN BOUND TO H3K9ME3
Descriptor:Testis-specific chromodomain protein Y 1, Histone H3.1, 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:2019-09-27
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:crytal structure of CDY1 chromodomain bound to H3K9me3
To Be Published
6QSW
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COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR N-(2-BROMO-4-METHYLNAPHTHALEN-1-YL)-4,5-DIHYDRO-1H-IMIDAZOL-2-AMINE.
Descriptor:Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
Authors:Adams, C.M., Sellner, H., Ehara, T., Mac Sweeney, A., Crowley, M., Anderson, K., Karki, R., Mainolfi, N., Valeur, E., Sirockin, F., Gerhartz, B., Erbel, P., Hughes, N., Smith, T.M., Cumin, F., Argikar, U., Mogi, M., Sedrani, R., Wiesmann, C., Jaffee, B., Maibaum, J., Flohr, S., Harrison, R., Eder, J.
Deposit date:2019-02-22
Release date:2019-03-27
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Complement factor B protease domain in complex with the reversible inhibitor PKF
To Be Published
6TCX
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PAPAIN BOUND TO A NATURAL CYSTEINE PROTEASE INHIBITOR FROM STREPTOMYCES MOBARAENSIS
Descriptor:Papain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
Authors:Kraemer, A., Juettner, N.E., Fuchsbauer, H.-L., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2019-11-06
Release date:2019-12-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis
To Be Published
6RAV
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COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR 4-((2S,4S)-4-ETHOXY-1-((5-METHOXY-7-METHYL-1H-INDOL-4-YL)METHYL)PIPERIDIN-2-YL)BENZOIC ACID
Descriptor:Complement factor B, SULFATE ION, 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, ...
Authors:Adams, C.M., Sellner, H., Ehara, T., Mac Sweeney, A., Crowley, M., Anderson, K., Karki, R., Mainolfi, N., Valeur, E., Sirockin, F., Gerhartz, B., Erbel, P., Hughes, N., Smith, T.M., Cumin, F., Argikar, U., Mogi, M., Sedrani, R., Wiesmann, C., Jaffee, B., Maibaum, J., Flohr, S., Harrison, R., Eder, J.
Deposit date:2019-04-08
Release date:2019-04-17
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KEN
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN GLUTATHIONE-BOUND FORM
Descriptor:Glutathione S-transferase E14, GLUTATHIONE
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 (1.75 Å)
Cite:Integrative in silico, in vitro, and in vivo functional analysis of the insect steroidgenic regulator, noppera-bo.
To Be Published
6QSX
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COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR ((2S,4S)-1-((5,7-DIMETHYL-1H-INDOL-4-YL)METHYL)-4-METHOXYPIPERIDIN-2-YL)METHANOL.
Descriptor:Complement factor B, SULFATE ION, [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol, ...
Authors:Adams, C.M., Sellner, H., Ehara, T., Mac Sweeney, A., Crowley, M., Anderson, K., Karki, R., Mainolfi, N., Valeur, E., Sirockin, F., Gerhartz, B., Erbel, P., Hughes, N., Smith, T.M., Cumin, F., Argikar, U., Mogi, M., Sedrani, R., Wiesmann, C., Jaffee, B., Maibaum, J., Flohr, S., Harrison, R., Eder, J.
Deposit date:2019-02-22
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6SYP
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HUMAN DHODH BOUND TO INHIBITOR IPP/CNRS-A017
Descriptor:Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, OROTIC ACID, ...
Authors:Kraemer, A., Janin, Y., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2019-09-30
Release date:2019-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human DHODH bound to SGC chemical probe IPP/CNRS-A017-A04
To Be Published
6KEQ
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CRYSTAL STRUCTURE OF D113A MUTANT OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN APO-FORM
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 (1.84 Å)
Cite:Integrative in silico, in vitro, and in vivo functional analysis of the insect steroidgenic regulator, noppera-bo.
To Be Published
6KER
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CRYSTAL STRUCTURE OF D113A MUTANT OF DROSOPHILA MELANOGASTER NOPPERA-BO, GLUTATHIONE S-TRANSFERASE EPSILON 14 (DMGSTE14), IN GLUTATHIONE-BOUND FORM
Descriptor:Glutathione S-transferase E14, GLUTATHIONE
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 (1.84 Å)
Cite:Integrative in silico, in vitro, and in vivo functional analysis of the insect steroidgenic regulator, noppera-bo.
To Be Published
6E9D
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SUB-2 ANGSTROM EWALD CURVATURE-CORRECTED SINGLE-PARTICLE CRYO-EM RECONSTRUCTION OF AAV-2 L336C
Descriptor:Capsid protein VP1
Authors:Tan, Y.Z., Aiyer, S., Mietzsch, M., Hull, J.A., McKenna, R., Baker, T.S., Agbandje-McKenna, M., Lyumkis, D.
Deposit date:2018-07-31
Release date:2018-08-15
Last modified:2018-09-19
Method:ELECTRON MICROSCOPY (1.86 Å)
Cite:Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant.
Nat Commun, 9, 2018
6SLB
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CRYSTAL STRUCTURE OF ISOMERASE PAAG WITH TRANS-3,4-DIDEHYDROADIPYL-COA
Descriptor:Enoyl-CoA hydratase/carnithine racemase, (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
Authors:Saleem-Batcha, R., Spieker, M., Teufel, R.
Deposit date:2019-08-19
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 2019
4V4F
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THE STRUCTURE OF THE TRP RNA-BINDING ATTENUATION PROTEIN (TRAP) BOUND TO A RNA MOLECULE CONTAINING UAGAU REPEATS
Descriptor:5'-R(*UP*AP*GP*AP*UP)-3', TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN
Authors:Hopcroft, N.H., Manfredo, A., Wendt, A.L., Brzozowski, A.M., Gollnick, P., Antson, A.A.
Deposit date:2003-12-08
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Interaction of RNA with Trap: The Role of Triplet Repeats and Separating Spacer Nucleotides
J.Mol.Biol., 338, 2004
6GUA
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XYLULOSE 5-PHOSPHATE PHOSPHOKETOLASE FROM LACTOCOCCUS LACTIS
Descriptor:Probable phosphoketolase, THIAMINE DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Scheidig, A.J., Szedlacsek, S.E.
Deposit date:2018-06-19
Release date:2019-05-22
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.95 Å), SOLUTION SCATTERING
Cite:Crystal structure of a xylulose 5-phosphate phosphoketolase. Insights into the substrate specificity for xylulose 5-phosphate.
J.Struct.Biol., 207, 2019
6T42
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BOVINE LACTOGLOBULIN COMPLEX WITH DECANOL
Descriptor:Beta-lactoglobulin, DECAN-1-OL
Authors:Loch, J.I., Kopec, M., Lewinski, K.
Deposit date:2019-10-11
Release date:2019-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bovine lactoglobulin complex with decanol
To Be Published
5MX7
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1A,20S-DIHYDROXYVITAMIN D3 VDR COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 1a,20S-dihydroxyvitamin D3
Authors:Rochel, N., Belorusova, A.Y.
Deposit date:2017-01-21
Release date:2017-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.
Sci Rep, 7, 2017