3PT1
 
 | | Structure of DUF89 from Saccharomyces cerevisiae co-crystallized with F6P. | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Petit, P, Xu, X, Cui, H, Savchenko, A, Yakunin, A.F. | | Deposit date: | 2010-12-02 | | Release date: | 2010-12-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.773 Å) | | Cite: | Structure and activity of a DUF89 protein from Saccharomyces cerevisiae revealed a novel family of carbohydrate phosphatases
To be Published
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5NJ6
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution | | Descriptor: | Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2 | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-28 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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5NDD
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-08 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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5NDZ
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution | | Descriptor: | 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-09 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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4RIO
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5A8E
 | | thermostabilised beta1-adrenoceptor with rationally designed inverse agonist 7-methylcyanopindolol bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile, ... | | Authors: | Sato, T, Baker, J.G, Warne, T, Brown, G.A, Congreve, M, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2015-07-15 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound Beta1-Adrenergic Receptor.
Mol.Pharmacol., 88, 2015
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7UBA
 | | Structure of fungal Hop1 CBR domain | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HORMA domain-containing protein, PENTAETHYLENE GLYCOL, ... | | Authors: | Ur, S.N, Corbett, K.D. | | Deposit date: | 2022-03-14 | | Release date: | 2023-03-29 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
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8SDC
 | | Crystal structure of fluoroacetate dehalogenase Daro3835 apoenzyme | | Descriptor: | Alpha/beta hydrolase fold protein, CHLORIDE ION | | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | | Deposit date: | 2023-04-06 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
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8SDD
 | | Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | | Descriptor: | Alpha/beta hydrolase fold protein | | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | | Deposit date: | 2023-04-06 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
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8CWW
 | | Structure of S. cerevisiae Hop1 CBR bound to a nucleosome | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D. | | Deposit date: | 2022-05-19 | | Release date: | 2023-06-07 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
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8CZE
 | | Structure of a Xenopus Nucleosome with Widom 601 DNA | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D. | | Deposit date: | 2022-05-24 | | Release date: | 2023-06-07 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
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3ERP
 | | Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... | | Authors: | Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-10-02 | | Release date: | 2008-11-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl.Environ.Microbiol., 2017
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4MPY
 | | 1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+ | | Descriptor: | Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-14 | | Release date: | 2013-10-09 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
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4MPB
 | | 1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus | | Descriptor: | Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
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4ZXU
 | | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | | Descriptor: | Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
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4XTK
 | | Structure of TM1797, a CAS1 protein from Thermotoga maritima | | Descriptor: | CRISPR-associated endonuclease Cas1 | | Authors: | Petit, P, Beloglazova, N, Skarina, T, Chang, C, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-01-23 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure and nuclease activity of tm1797, a cas1 protein from thermotoga maritima
To Be Published
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6AQE
 | | Crystal structure of PPK2 in complex with Mg ATP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Nocek, B, Joachimiak, A, Yakunin, A. | | Deposit date: | 2017-08-19 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
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6AQN
 | | Crystal structure of PPK2 in complex with phosphonic acid inhibitor | | Descriptor: | GLYCEROL, Polyphosphate:AMP phosphotransferase, S,R MESO-TARTARIC ACID, ... | | Authors: | Nocek, B, Berlicki, l, Joachimiak, A, Yakunin, S. | | Deposit date: | 2017-08-20 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
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6B18
 | | Crystal structure of PPK3 Class III in complex with inhibitor | | Descriptor: | GLYCEROL, PHOSPHATE ION, PPK3 Class III, ... | | Authors: | Nocek, B, Ruszkowski, M, Berlicki, L, Joachimiak, A, Yakunin, A. | | Deposit date: | 2017-09-17 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
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6ANH
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6AU0
 | | Crystal structure of PPK2 (Class III) in complex with bisphosphonate inhibitor (2-((3,5-dichlorophenyl)amino)ethane-1,1-diyl)diphosphonic acid | | Descriptor: | GLYCEROL, Polyphosphate:AMP phosphotransferase, {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid) | | Authors: | Nocek, B, Ruszkowski, M, Joachimiak, A, Berlicki, L, Yakunin, A. | | Deposit date: | 2017-08-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
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6ANG
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6AN9
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1TLJ
 | | Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus solfataricus | | Descriptor: | Hypothetical UPF0130 protein SSO0622, SULFATE ION | | Authors: | Jia, Z, Wong, A.H.Y, Kudrytska, M, Skarina, T, Walker, J, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-06-09 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional characterization of the TYW3/Taw3 class of SAM-dependent methyltransferases.
Rna, 23, 2017
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1ZKI
 | | Structure of conserved protein PA5202 from Pseudomonas aeruginosa | | Descriptor: | ACETIC ACID, hypothetical protein PA5202 | | Authors: | Cuff, M.E, Evdokimova, E, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-05-02 | | Release date: | 2005-06-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and activity of the Pseudomonas aeruginosa hotdog-fold thioesterases PA5202 and PA2801.
Biochem.J., 444, 2012
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