Mine: New entries

5O83
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DISCOVERY OF CDZ173 (LENIOLISIB), REPRESENTING A STRUCTURALLY NOVEL CLASS OF PI3K DELTA-SELECTIVE INHIBITORS
Descriptor:Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S., Rummel, G., Shrestha, B.
Deposit date:2017-06-12
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors
Acs Med.Chem.Lett., 2017
5OCA
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PCSK9:FAB COMPLEX WITH DEXTRAN SULFATE
Descriptor:Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Thirup, S.S., Vilstrup, J.P.
Deposit date:2017-06-30
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Heparan sulfate proteoglycans present PCSK9 to the LDL receptor.
Nat Commun, 8, 2017
5OEY
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR FRUCTOSE-1,6-BISPHOSPHATASE IN HOLO FORM.
Descriptor:CITRIC ACID, FBP protein, MANGANESE (II) ION, ...
Authors:Yuan, M., Vasquez-Valdivieso, M.G., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2017-07-10
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Leishmania Fructose-1,6-bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 2017
5OEZ
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR FRUCTOSE-1,6-BISPHOSPHATASE IN APO FORM.
Descriptor:FBP protein
Authors:Yuan, M., Vasquez-Valdivieso, M.G., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2017-07-10
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of Leishmania Fructose-1,6-bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 2017
5OFU
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR FRUCTOSE-1,6-BISPHOSPHATASE IN T-STATE.
Descriptor:ADENOSINE MONOPHOSPHATE, CHLORIDE ION, FBP protein, ...
Authors:Yuan, M., Vasquez-Valdivieso, M.G., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2017-07-11
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of Leishmania Fructose-1,6-bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 2017
5OHK
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CRYSTAL STRUCTURE OF USP30 IN COVALENT COMPLEX WITH UBIQUITIN PROPARGYLAMIDE (HIGH RESOLUTION)
Descriptor:Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ...
Authors:Gersch, M., Komander, D.
Deposit date:2017-07-17
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Mechanism and regulation of the Lys6-selective deubiquitinase USP30
Nat.Struct.Mol.Biol., 2017
5OHN
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CRYSTAL STRUCTURE OF USP30 IN COVALENT COMPLEX WITH UBIQUITIN PROPARGYLAMIDE (LOW RESOLUTION)
Descriptor:Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION
Authors:Gersch, M., Komander, D.
Deposit date:2017-07-17
Release date:2017-09-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanism and regulation of the Lys6-selective deubiquitinase USP30
Nat.Struct.Mol.Biol., 2017
5OHP
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CRYSTAL STRUCTURE OF USP30 (C77A) IN COMPLEX WITH LYS6-LINKED DIUBIQUITIN
Descriptor:Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION
Authors:Gersch, M., Komander, D.
Deposit date:2017-07-17
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism and regulation of the Lys6-selective deubiquitinase USP30
Nat.Struct.Mol.Biol., 2017
5OOQ
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STRUCTURE OF THE MTR4 NOP53 COMPLEX
Descriptor:ATP-dependent RNA helicase DOB1, Ribosome biogenesis protein NOP53, SULFATE ION
Authors:Falk, S., Basquin, J., Conti, E.
Deposit date:2017-08-08
Release date:2017-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the interaction of the nuclear exosome helicase Mtr4 with the pre-ribosomal protein Nop53.
RNA, 2017
5OWX
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INSIDE-OUT FMDV A10 CAPSID
Descriptor:Genome polyprotein
Authors:Kotecha, A., Malik, N., Fry, E.E., Stuart, D.I.
Deposit date:2017-09-04
Release date:2017-09-20
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Structures of foot and mouth disease virus pentamers: insight into capsid dissociation and unexpected pentamer reassociation
To be published
5OXG
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CRYSTAL STRUCTURE OF THE ACVR1 (ALK2) KINASE IN COMPLEX WITH LDN-212854
Descriptor:1,2-ETHANEDIOL, 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
Authors:Williams, E.P., Sorrell, F.J., Kopec, J., Nowak, R.P., Kupinska, K., Von Delft, F., Burgess-Brown, N., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N., Structural Genomics Consortium (SGC)
Deposit date:2017-09-06
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2
To Be Published
5OY3
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THE STRUCTURAL BASIS OF THE HISTONE DEMETHYLASE KDM6B HISTONE 3 LYSINE 27 SPECIFICITY
Descriptor:1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (III) ION, ...
Authors:Jones, S.E., Olsen, L., Gajhede, M.
Deposit date:2017-09-07
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.136 Å)
Cite:Crystal structure of C-terminal domain of KDM6B bound with mutated H3 peptide
To Be Published
5OY7
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STRUCTURE OF THE 4_601_157 TETRANUCLEOSOME (P1 FORM)
Descriptor:CHLORIDE ION, DNA (619-MER), Histone H2A, ...
Authors:Ekundayo, B., Richmond, T.J., Schalch, T.
Deposit date:2017-09-07
Release date:2017-09-20
Method:X-RAY DIFFRACTION (5.774 Å)
Cite:Capturing structural heterogeneity in chromatin fibers.
J. Mol. Biol., 2017
5OYI
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FMDV A10 DISSOCIATED PENTAMER
Descriptor:Genome polyprotein
Authors:Kotecha, A., Malik, N., Stuart, D.I.
Deposit date:2017-09-09
Release date:2017-09-20
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Structures of foot and mouth disease virus pentamers: insight into capsid dissociation and unexpected pentamer reassociation
TO BE PUBLISHED
5T7M
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LIGAND BINDING REGIONS OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTORS PCTA IN COMPLEX WITH L-TRP
Descriptor:ACETATE ION, Chemotaxis protein, SODIUM ION, ...
Authors:Gavira, J.A., Gimenez-Rico, M., Pineda-Molina, E., Krell, T.
Deposit date:2016-09-05
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of Lbd-Pcta Bund To Natural Ligands.
To Be Published
5T7O
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CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE IN COMPLEX WITH (6S)-5,6,7,8-TETRAHYDROFOLATE
Descriptor:(6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Di Pisa, F., Dello Iacono, L., Bonucci, A., Mangani, S.
Deposit date:2016-09-05
Release date:2017-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
To Be Published
5T84
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HIV-1 PROTEASE, UNBOUND SUBTYPE B L63P CONSTRUCT
Descriptor:Protease
Authors:Liu, Z., Norell, J., Mahon, B., Poole, K., McKenna, R., Fanucci, G.
Deposit date:2016-09-06
Release date:2017-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease
To Be Published
5T8A
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RECOMBINANT CYTOTOXIN-I FROM THE VENOM OF COBRA N. OXIANA
Descriptor:Cytotoxin 1
Authors:Dubovskii, P.V., Dubinnyi, M.A., Shulepko, M.A., Lyukmanova, E.N., Dolgikh, D.A., Kirpichnikov, M.P., Efremov, R.G.
Deposit date:2016-09-07
Release date:2017-09-20
Method:SOLUTION NMR
Cite:Cytotoxin I from N. oxiana: structure and dynamics of the recombinant and native toxin
to be published
5TBH
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CRYSTAL STRUCTURE OF MOUSE CARM1 IN COMPLEX WITH INHIBITOR LH1236
Descriptor:(2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
Authors:Cura, V., Marechal, N., Troffer-Charlier, N., Halby, L., Arimondo, P., Bonnefond, L., Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Crystal structure of mouse CARM1 in complex with ligands
To Be Published
5TBI
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CRYSTAL STRUCTURE OF MOUSE CARM1 IN COMPLEX WITH INHIBITOR LH1427
Descriptor:1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one, ...
Authors:Cura, V., Marechal, N., Troffer-Charlier, N., Halby, L., Arimondo, P., Bonnefond, L., Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Crystal structure of mouse CARM1 in complex with ligands
To Be Published
5TBJ
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CRYSTAL STRUCTURE OF MOUSE CARM1 IN COMPLEX WITH INHIBITOR LH1452
Descriptor:1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
Authors:Cura, V., Marechal, N., Troffer-Charlier, N., Halby, L., Arimondo, P., Bonnefond, L., Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of mouse CARM1 in complex ligands
To Be Published
5TCB
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STRUCTURE OF THE GLYCOSIDE HYDROLASE DOMAIN OF PELA FROM PSEUDOMONAS AERUGINOSA
Descriptor:PelA
Authors:Alnabelseya, N., Baker, P., Robinson, H., Howell, P.L.
Deposit date:2016-09-14
Release date:2017-09-20
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Microbial glycoside hydrolases display cross-kingdom activity against bacterial and fungal biofilms
To Be Published
5TCE
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N-TERMINAL MICRODOMAIN OF 34-MERS FROM HSDHODH - N-T(DH)
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial
Authors:Crusca, E., Munte, C.E.
Deposit date:2016-09-14
Release date:2017-09-20
Method:SOLUTION NMR
Cite:Conformational changes of the HsDHODH N-terminal Microdomain via DEER Spectroscopy.
J Phys Chem B, 119, 2015
5TCL
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THAUMATIN FROM 4.96 A WAVELENGTH DATA COLLECTION
Descriptor:GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
Authors:Aurelius, O., Duman, R., El Omari, K., Mykhaylyk, V., Wagner, A.
Deposit date:2016-09-15
Release date:2017-09-20
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Long-wavelength macromolecular crystallography: On the edge of SAD
To Be Published
5TCV
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ACC OXIDASE COMPLEX WITH SUBSTRATE 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
Descriptor:1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate oxidase 1, NICKEL (II) ION
Authors:Gunawardana, D.M., Yosaatmadja, Y., Leung, I.K., Squire, C.J.
Deposit date:2016-09-15
Release date:2017-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
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