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6JP9
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BU of 6jp9 by Molmil
Crsytal structure of a XMP complexed ATPPase subunit of M. jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit B, MALONIC ACID, TRIETHYLENE GLYCOL, ...
Authors:Shivakumarasamy, S, Balaram, H.
Deposit date:2019-03-26
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic Insights into the Functioning of a Two-Subunit GMP Synthetase, an Allosterically Regulated, Ammonia Channeling Enzyme.
Biochemistry, 61, 2022
8SRY
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BU of 8sry by Molmil
Crystal structure of BAK-BAX heterodimer with C12E8
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-08
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
5FQ8
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BU of 5fq8 by Molmil
Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-decanoyloxypropyl decanoate, BT_2262 (UNCHARACTERISED LIPOPROTEIN), ...
Authors:Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
6PZ0
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BU of 6pz0 by Molmil
Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and L-Tyrosine
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, TYROSINE, ...
Authors:Sun, Z, Kavran, J.M, Rokita, S.E.
Deposit date:2019-07-31
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana.
J.Biol.Chem., 297, 2021
6JGL
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BU of 6jgl by Molmil
Crystal structure of barley exohydrolaseI W434H mutant in complex with methyl 2-thio-beta-sophoroside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6CTE
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BU of 6cte by Molmil
77Se-NMR probes the protein environment of selenomethionine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Chen, Q, Rozovsky, S.
Deposit date:2018-03-22
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
7KND
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BU of 7knd by Molmil
C1B domain of Protein kinase C in apo form
Descriptor: Protein kinase C delta type, ZINC ION
Authors:Katti, S.S, Krieger, I.
Deposit date:2020-11-04
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
5VDW
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BU of 5vdw by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F1
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, [2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
6FPP
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BU of 6fpp by Molmil
Structure of S. pombe Mmi1
Descriptor: GLYCEROL, MAGNESIUM ION, YTH domain-containing protein mmi1
Authors:Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A.
Deposit date:2018-02-11
Release date:2018-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
6JPM
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BU of 6jpm by Molmil
Crystal Structure of Odorant Binding Protein 4 in the Natural Predator Chrysopa pallens
Descriptor: Odorant binding protein 4
Authors:Li, T.T, Ma, C.
Deposit date:2019-03-27
Release date:2019-10-16
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure and ligand identification of odorant binding protein 4 in the natural predator Chrysopa pallens.
Int.J.Biol.Macromol., 141, 2019
8AAQ
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BU of 8aaq by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP), CRT-416 form
Descriptor: Carotenoid-binding protein
Authors:Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Minyaev, M.E, Faletrov, Y.V, Boyko, K.M, Sluchanko, N.N.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Preparation and Structural Studies of the Silkworm Carotenoid-Binding Protein Complexed with a New Pigment
Crystallography Reports, 2022
6CXU
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BU of 6cxu by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
Deposit date:2018-04-04
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
6YOS
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BU of 6yos by Molmil
Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide
Descriptor: 14-3-3 protein zeta/delta, Glucocorticoid receptor,Glucocorticoid receptor
Authors:Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
Deposit date:2020-04-15
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
J.Biol.Chem., 296, 2021
8AY0
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BU of 8ay0 by Molmil
Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide
Descriptor: 1,2-ETHANEDIOL, Dipeptide-binding protein DppE, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ...
Authors:Hughes, A.M, Dodson, E.J, Wilkinson, A.J.
Deposit date:2022-09-01
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
6Q8A
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BU of 6q8a by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine
Descriptor: 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine, Leucine--tRNA ligase, MAGNESIUM ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-12-14
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
6JPR
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BU of 6jpr by Molmil
Crystal structure of Phycocyanin from Nostoc sp. R76DM
Descriptor: GLYCEROL, PHYCOCYANOBILIN, Phycocyanin, ...
Authors:Sonani, R.R, Gupta, G.D, Rastogi, R.P, Patel, S.N, Madamwar, D, Kumar, V.
Deposit date:2019-03-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Phylogenetic and crystallographic analysis of Nostoc phycocyanin having blue-shifted spectral properties.
Sci Rep, 9, 2019
5FGR
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BU of 5fgr by Molmil
Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group with Yb Heavy atom
Descriptor: Cell surface protein SpaA, YTTERBIUM (III) ION
Authors:Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V.
Deposit date:2015-12-21
Release date:2016-07-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
6YO8
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BU of 6yo8 by Molmil
Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide
Descriptor: 14-3-3 protein zeta/delta, Glucocorticoid receptor
Authors:Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
Deposit date:2020-04-14
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
J.Biol.Chem., 296, 2021
6Q8P
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BU of 6q8p by Molmil
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Descriptor: Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Authors:Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-15
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6FSK
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BU of 6fsk by Molmil
F194Y mutant of the Dye-decolorizing peroxidase (DYP) from Pleurotus ostreatus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DyP-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I.
Deposit date:2018-02-19
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Description of a non-canonical Mn(II)-oxidation site in peroxidases
Acs Catalysis, 2018
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
Authors:Sivaraja, M, Williams, D.C.
Deposit date:2018-04-06
Release date:2018-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
6FQK
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BU of 6fqk by Molmil
GluA2(flop) S729C ligand binding core dimer bound to ZK200775 at 1.98 Angstrom resolution
Descriptor: Glutamate receptor 2,Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Authors:Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G.
Deposit date:2018-02-14
Release date:2019-03-13
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.98010445 Å)
Cite:Homomeric GluA2(R) AMPA receptors can conduct when desensitized.
Nat Commun, 10, 2019
6CEA
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BU of 6cea by Molmil
Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6Y6I
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BU of 6y6i by Molmil
lipopolysaccharide outer core galactosyltransferase WaaB and UDP complex
Descriptor: Lipopolysaccharide 1,6-galactosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Zhang, Z.Y, Ashworth, G, Wang, Z.S, Zhu, X.F, Dong, C.J.
Deposit date:2020-02-26
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural insights into the lipopolysaccharide outer core galactosyltransferase WaaB
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