6B8Z
 
 | | Multiconformer model of WT PTP1B with BB3 at 273 K | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B90
 | | Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B8T
 | | Multiconformer model of apo WT PTP1B with glycerol at 240 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6BAI
 | | Multiconformer model of apo K197C PTP1B at 100 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-12 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B8E
 | | Multiconformer model of apo WT PTP1B with glycerol at 180 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-06 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B8X
 | | Multiconformer model of apo WT PTP1B with glycerol at 278 K | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B95
 | | Multiconformer model of K197C PTP1B tethered to compound 2 at 100 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-10 | | Release date: | 2018-06-20 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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1A8M
 | | TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT | | Descriptor: | TUMOR NECROSIS FACTOR ALPHA | | Authors: | Reed, C, Fu, Z.-Q, Wu, J, Xue, Y.-N, Harrison, R.W, Chen, M.-J, Weber, I.T. | | Deposit date: | 1998-03-27 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2.
Protein Eng., 10, 1997
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6V1S
 | | Structure of the Clostridioides difficile transferase toxin | | Descriptor: | ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION | | Authors: | Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B. | | Deposit date: | 2019-11-21 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4PTH
 | | Ensemble model for Escherichia coli dihydrofolate reductase at 100K | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | | Deposit date: | 2014-03-10 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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5VRZ
 | | Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 60 s | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*TP*GP*CP*GP*CP*CP*T)-3'), ... | | Authors: | Reed, A.J, Suo, Z. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta.
J. Am. Chem. Soc., 139, 2017
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3J70
 | | Model of gp120, including variable regions, in complex with CD4 and 17b | | Descriptor: | Envelope glycoprotein gp120, T-cell surface glycoprotein CD4, envelope glycoprotein gp41, ... | | Authors: | Rasheed, M, Bettadapura, R, Bajaj, C. | | Deposit date: | 2014-04-22 | | Release date: | 2015-08-26 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Computational Refinement and Validation Protocol for Proteins with Large Variable Regions Applied to Model HIV Env Spike in CD4 and 17b Bound State.
Structure, 23, 2015
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4P3Q
 | | Room-temperature WT DHFR, time-averaged ensemble | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Keedy, D.A, van den Bedem, H, Fraser, J.S. | | Deposit date: | 2014-03-10 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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5CRC
 | | Structure of the SdeA DUB Domain | | Descriptor: | SdeA | | Authors: | Sheedlo, M.J, Qiu, J, Tan, Y, Paul, L.N, Luo, Z.Q, Das, C. | | Deposit date: | 2015-07-22 | | Release date: | 2015-11-25 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5CRB
 | | Crystal Structure of SdeA DUB | | Descriptor: | SdeA | | Authors: | Sheedlo, M.J, Qiu, J, Luo, Z.Q, Das, C. | | Deposit date: | 2015-07-22 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5CRA
 | | Structure of the SdeA DUB Domain | | Descriptor: | METHYL 4-AMINOBUTANOATE, Polyubiquitin-B, SULFATE ION, ... | | Authors: | Sheedlo, M.J, Qiu, J, Luo, Z.Q, Das, C. | | Deposit date: | 2015-07-22 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5VRY
 | | Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 20 s | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*TP*GP*CP*GP*CP*CP*T)-3'), ... | | Authors: | Reed, A.J, Suo, Z. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta.
J. Am. Chem. Soc., 139, 2017
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5VS3
 | | Human DNA polymerase beta 8-oxoG:dA extension with dTTP after 90 s | | Descriptor: | ACETATE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*TP*GP*CP*GP*CP*AP*T)-3'), ... | | Authors: | Reed, A.J, Suo, Z. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta.
J. Am. Chem. Soc., 139, 2017
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5CYL
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3M8B
 | | Crystal structure of spin-labeled BtuB V10R1 in the apo state | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2010-03-17 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
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5DEO
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4PST
 | | Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | | Deposit date: | 2014-03-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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4PTJ
 | | Ensemble model for Escherichia coli dihydrofolate reductase at 277K | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | | Deposit date: | 2014-03-10 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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4PSS
 | | Multiconformer model for Escherichia coli dihydrofolate reductase at 100K | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | | Deposit date: | 2014-03-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.849 Å) | | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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5DB4
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