7AN6
 
 | | Enzyme of biosynthetic pathway | | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, Chorismate dehydratase, GLYCEROL | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2020-10-11 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
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6VIP
 | | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 | | Descriptor: | TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone | | Authors: | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-01-13 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
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7AN7
 | | Enzyme of biosynthetic pathway | | Descriptor: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2020-10-11 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
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7UT3
 | | Crystal structure of complex of Fab, G10C with GalNAc-pNP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside, Fab protein heavy chain, ... | | Authors: | Li, M, Wlodawer, A. | | Deposit date: | 2022-04-26 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Development of a GalNAc-Tyrosine-Specific Monoclonal Antibody and Detection of Tyrosine O -GalNAcylation in Numerous Human Tissues and Cell Lines.
J.Am.Chem.Soc., 144, 2022
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6W7H
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | Descriptor: | 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | | Deposit date: | 2020-03-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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7AN8
 | | Enzyme of biosynthetic pathway | | Descriptor: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2020-10-11 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
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2O16
 | | Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae | | Descriptor: | Acetoin utilization protein AcuB, putative, PHOSPHATE ION | | Authors: | Patskovsky, Y, Bonanno, J.B, Rutter, M, Bain, K.T, Powell, A, Slocombe, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-11-28 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae
To be Published
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6VV2
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348 | | Descriptor: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VZT
 | | TTLL6 bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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2O6T
 | | Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- orthorhombic form (P2221). | | Descriptor: | CHLORIDE ION, THIOESTERASE | | Authors: | Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W. | | Deposit date: | 2006-12-08 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
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7TIL
 | | CryoEM structure of JetD from Pseudomonas aeruginosa | | Descriptor: | JetD | | Authors: | Deep, A, Gu, Y, Gao, Y, Ego, K, Herzik, M, Zhou, H, Corbett, K. | | Deposit date: | 2022-01-13 | | Release date: | 2022-10-05 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The SMC-family Wadjet complex protects bacteria from plasmid transformation by recognition and cleavage of closed-circular DNA.
Mol.Cell, 82, 2022
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7U4E
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7B0C
 | | [4Fe-4S]-NsrR complexed to 23-bp HmpA1 operator fragment | | Descriptor: | DNA (5'-D(P*AP*AP*CP*AP*CP*GP*AP*AP*TP*AP*TP*CP*AP*TP*CP*TP*AP*CP*CP*AP*AP*TP*T)-3'), DNA (5'-D(P*AP*AP*TP*TP*GP*GP*TP*AP*GP*AP*TP*GP*AP*TP*AP*TP*TP*CP*GP*TP*GP*TP*T)-3'), HTH-type transcriptional repressor NsrR, ... | | Authors: | Rohac, R, Fontecilla-Camps, J.C, Volbeda, A. | | Deposit date: | 2020-11-19 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural determinants of DNA recognition by the NO sensor NsrR and related Rrf2-type [FeS]-transcription factors.
Commun Biol, 5, 2022
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6W3X
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-valine | | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, SULFATE ION, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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7U9G
 | | Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ... | | Authors: | Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O. | | Deposit date: | 2022-03-10 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Sci Adv, 8, 2022
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7U4F
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7U6P
 | | Structure of an intellectual disability-associated ornithine decarboxylase variant G84R | | Descriptor: | Ornithine decarboxylase, PHOSPHATE ION | | Authors: | Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R.
Acs Omega, 7, 2022
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2O6U
 | | Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- new crystal form. | | Descriptor: | THIOESTERASE | | Authors: | Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W. | | Deposit date: | 2006-12-08 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
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7U4G
 | | Neuraminidase from influenza virus A/Shandong/9/1993(H3N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | | Authors: | Lei, R, Hernandez Garcia, A. | | Deposit date: | 2022-02-28 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
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7U6U
 | | Structure of an intellectual disability-associated ornithine decarboxylase variant G84R in complex with PLP | | Descriptor: | Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K. | | Deposit date: | 2022-03-06 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R.
Acs Omega, 7, 2022
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6VZV
 | | TTLL6 bound to gamma-elongation analog | | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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6VUT
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT392 | | Descriptor: | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6W0E
 | | Open-gate KcsA soaked in 10 mM BaCl2 | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.512 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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6W0K
 | | HBV D78S mutant capsid | | Descriptor: | Capsid protein | | Authors: | Zhao, Z, Wang, J, Zlotnick, A. | | Deposit date: | 2020-03-01 | | Release date: | 2020-09-30 | | Last modified: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
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2OBV
 | | Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product | | Descriptor: | S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-1, SODIUM ION, ... | | Authors: | Pilka, E.S, Shafqat, N, Kavanagh, K.L, Cooper, C, Hozjan, V, Turnbull, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product.
To be Published
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