8C29
 
 | | Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Kopecny, D, Semchonok, D.A, Kouril, R. | | Deposit date: | 2022-12-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.785 Å) | | Cite: | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Nat.Plants, 9, 2023
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6R37
 | | T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Thesis, 2019
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2IBU
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2IBW
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6R36
 | | T. brucei farnesyl pyrophosphate synthase (FPPS) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
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8FB9
 | | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | | Deposit date: | 2022-11-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6SJY
 | | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its product ADABA | | Descriptor: | (2~{S})-4-acetamido-2-azanyl-butanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2019-08-14 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
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6SLK
 | | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus | | Descriptor: | L-2,4-diaminobutyric acid acetyltransferase, SODIUM ION, SULFATE ION | | Authors: | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2019-08-20 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
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6XIG
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7RB3
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6SMP
 | | AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | | Descriptor: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | | Deposit date: | 2019-08-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
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5D1F
 | | Crystal structure of maize PDRP bound with AMP and Hg2+ | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MERCURY (II) ION, ... | | Authors: | Jiang, L, Chen, Z. | | Deposit date: | 2015-08-04 | | Release date: | 2016-02-24 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Reversible Phosphorylation by Maize Pyruvate Orthophosphate Dikinase Regulatory Protein
Plant Physiol., 170, 2016
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8E6O
 | | Crystal structure of human GCN5 histone acetyltransferase domain | | Descriptor: | Histone acetyltransferase KAT2A, S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate | | Authors: | Lu, X.T, Tao, Y.J. | | Deposit date: | 2022-08-23 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure of human GCN5 histone acetyltransferase domain
To Be Published
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2HV2
 | | Crystal Structure of Conserved Protein of Unknown Function from Enterococcus faecalis V583 at 2.4 A Resolution, Probable N-Acyltransferase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypothetical protein, TETRAETHYLENE GLYCOL | | Authors: | Tereshko, V.A, Qiu, Y, Kossiakoff, A.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-07-27 | | Release date: | 2006-08-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of conserved hypothetical protein from Enterococcus faecalis V583 at 2.4 A resolution.
To be Published
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6SZH
 | | Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GW197 | | Descriptor: | 3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile, CALCIUM ION, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-10-02 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 76, 2020
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5D87
 | | Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F/S185G variant | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | | Deposit date: | 2015-08-15 | | Release date: | 2016-02-03 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
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6SHV
 | | T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | | Descriptor: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-08 | | Release date: | 2020-08-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.808 Å) | | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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2HWG
 | | Structure of phosphorylated Enzyme I of the phosphoenolpyruvate:sugar phosphotransferase system | | Descriptor: | MAGNESIUM ION, OXALATE ION, Phosphoenolpyruvate-protein phosphotransferase | | Authors: | Lim, K, Teplyakov, A, Herzberg, O. | | Deposit date: | 2006-08-01 | | Release date: | 2006-11-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of phosphorylated enzyme I, the phosphoenolpyruvate:sugar phosphotransferase system sugar translocation signal protein.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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8CN7
 | | Pa.FabF-C164Q in complex with platencin | | Descriptor: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE | | Authors: | Georgiou, C, Brenk, R. | | Deposit date: | 2023-02-22 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
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6YGC
 | | Crystal structure of the NatC complex bound to Arl3 peptide and CoA | | Descriptor: | ADP-ribosylation factor-like protein 3, CHLORIDE ION, COENZYME A, ... | | Authors: | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | | Deposit date: | 2020-03-27 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.994 Å) | | Cite: | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
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8COU
 | | Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid | | Descriptor: | 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiou, C, Brenk, R. | | Deposit date: | 2023-02-28 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
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6SDO
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7K1S
 | | The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Oliver, S.L. | | Deposit date: | 2020-09-08 | | Release date: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion.
Plos Pathog., 17, 2021
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6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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