5KA8
 
 | | Protein Tyrosine Phosphatase 1B L192A mutant, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.971 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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1AUU
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4XPN
 | | Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34 | | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2015-01-17 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Structural and Functional Analysis of the GADD34:PP1 eIF2 alpha Phosphatase.
Cell Rep, 11, 2015
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4TX0
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bischoff, M, Sippel, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-07-02 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Stereoselective Construction of the 5-Hydroxy Diazabicyclo[4.3.1]decane-2-one Scaffold, a Privileged Motif for FK506-Binding Proteins.
Org.Lett., 16, 2014
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4Y14
 | | Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ... | | Authors: | Choy, M.S, Connors, C, Page, R, Peti, W. | | Deposit date: | 2015-02-06 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
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1ALG
 | | SOLUTION STRUCTURE OF AN HGR INHIBITOR, NMR, 10 STRUCTURES | | Descriptor: | P11 | | Authors: | Schott, M.K, Nordhoff, A, Becker, K, Kalbitzer, H.R, Schirmer, R.H. | | Deposit date: | 1997-06-03 | | Release date: | 1997-10-15 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Denaturation and reactivation of dimeric human glutathione reductase--an assay for folding inhibitors.
Eur.J.Biochem., 245, 1997
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8F3Z
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) S422A variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3W
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
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8F3X
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
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8F3Y
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
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8F3V
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
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8U5G
 | | Crystal structure of the co-expressed SDS22:PP1:I3 complex | | Descriptor: | E3 ubiquitin-protein ligase PPP1R11, FE (III) ION, PHOSPHATE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2023-09-12 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The SDS22:PP1:I3 complex: SDS22 binding to PP1 loosens the active site metal to prime metal exchange.
J.Biol.Chem., 300, 2023
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7QB6
 | | Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with 3-carboxybenzophenone | | Descriptor: | 3-benzoylbenzoic acid, MALONATE ION, Nodulin-13 | | Authors: | Grzechowiak, M, Ignasiak, M, Nowicka-Bauer, K, Marciniak, B, Jaskolski, M. | | Deposit date: | 2021-11-18 | | Release date: | 2022-10-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Does the presence of ground state complex between a PR-10 protein and a sensitizer affect the mechanism of sensitized photo-oxidation?
Free Radic Biol Med, 198, 2023
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8C56
 | | CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA | | Descriptor: | Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5PY)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ... | | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
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8C58
 | | CpG specific M.MpeI methyltransferase crystallized in the presence of 5-hydroxycytosine and 5-methylcytosine containing dsDNA | | Descriptor: | CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5OC)P*GP*CP*TP*GP*AP*A)-3'), ... | | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
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8C59
 | | CpG specific M.MpeI methyltransferase crystallized in the presence of 5-bromocytosine (converted to 5mC) and 5-methylcytosine containing dsDNA | | Descriptor: | CARBONATE ION, CITRIC ACID, Cytosine-specific methyltransferase, ... | | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
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8C57
 | | CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA | | Descriptor: | CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5MA)P*GP*CP*TP*GP*AP*A)-3'), ... | | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
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6ZTW
 | | Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Grzechowiak, M, Sekula, B, Ruszkowski, M. | | Deposit date: | 2020-07-20 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
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6ZTV
 | | Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized) | | Descriptor: | 1,2-ETHANEDIOL, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, ... | | Authors: | Grzechowiak, M, Sekula, B, Ruszkowski, M. | | Deposit date: | 2020-07-20 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
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6ZTX
 | | Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized) | | Descriptor: | 1,2-ETHANEDIOL, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, ... | | Authors: | Grzechowiak, M, Sekula, B, Ruszkowski, M. | | Deposit date: | 2020-07-20 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
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6OBU
 | | PP1 Y134K in complex with Microcystin LR | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | Deposit date: | 2019-03-21 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OBR
 | | PP1 Y134A in complex with Microcystin LR | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ... | | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | Deposit date: | 2019-03-21 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8F0Q
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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8F0P
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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6OBQ
 | | PP1 H66K in complex with Microcystin LR | | Descriptor: | MANGANESE (II) ION, Microcystin LR, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | Deposit date: | 2019-03-21 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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