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7JVN
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVX
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BU of 7jvx by Molmil
Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
Descriptor: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
Authors:Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
Deposit date:2020-08-24
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7KEN
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BU of 7ken by Molmil
Protein Tyrosine Phosphatase 1B, D289A mutant, apo state
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Fox, J.M, Hongdusit, A.
Deposit date:2020-10-11
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optogenetic Analysis of Allosteric Control in Protein Tyrosine Phosphatases.
Biochemistry, 60, 2021
7KEY
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BU of 7key by Molmil
Protein Tyrosine Phosphatase 1B, Apo
Descriptor: ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
Deposit date:2020-10-13
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
7KLX
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BU of 7klx by Molmil
Protein Tyrosine Phosphatase 1B with inhibitor
Descriptor: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
Deposit date:2020-11-01
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
7L0C
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BU of 7l0c by Molmil
Ligand-free PTP1B T177G
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Shen, R.D, Hengge, A.C, Johnson, S.J.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
7L0M
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BU of 7l0m by Molmil
Vanadate-bound YopH G352T
Descriptor: Protein-tyrosine-phosphatase, VANADATE ION
Authors:Shen, R.D, Hengge, A.C, Johnson, S.J.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
7L0H
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BU of 7l0h by Molmil
Vanadate-bound PTP1B T177G
Descriptor: Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
Authors:Shen, R.D, Hengge, A.C, Johnson, S.J.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
7L0I
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BU of 7l0i by Molmil
Ligand-free YopH G352T
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein-tyrosine-phosphatase
Authors:Shen, R.D, Hengge, A.C, Johnson, S.J.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
7LFO
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BU of 7lfo by Molmil
Protein Tyrosine Phosphatase 1B
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.M.
Deposit date:2021-01-18
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products.
Acs Synth Biol, 10, 2021
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
Deposit date:2021-04-14
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
7MKZ
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BU of 7mkz by Molmil
PTP1B F225Y mutant, open state
Descriptor: CHLORIDE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-27
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MM1
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BU of 7mm1 by Molmil
PTP1B in complex with TCS401 by Native S-SAD at Room Temperature
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-04-29
Release date:2021-05-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
7MNC
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BU of 7mnc by Molmil
PTP1B L204A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNA
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BU of 7mna by Molmil
PTP1B 1-284 F225Y-R199N in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNB
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BU of 7mnb by Molmil
PTP1B F225Y-R199N-L195R in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MND
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BU of 7mnd by Molmil
PTP1B L204A in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNE
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BU of 7mne by Molmil
PTP1B P206G mutation, open state
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MN9
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BU of 7mn9 by Molmil
PTP1B 1-284 F225Y-R199N
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MN7
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BU of 7mn7 by Molmil
PTP1B F225Y in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNF
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BU of 7mnf by Molmil
PTP1B P206G in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MOV
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BU of 7mov by Molmil
PTP1B 1-301 F225Y-R199N mutations
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MOU
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BU of 7mou by Molmil
PTP1B F225Y-R199N-L195R
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MOW
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PTP1B F225I in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022

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