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6QGQ
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BU of 6qgq by Molmil
Crystal structure of APT1 C2S mutant bound to palmitic acid.
Descriptor: Acyl-protein thioesterase 1, GLYCEROL, PALMITIC ACID
Authors:Audagnotto, M, Marcaida, M.J, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
6QGN
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BU of 6qgn by Molmil
Crystal structure of APT1 bound to 2-Bromopalmitate
Descriptor: 2-Bromopalmitic acid, Acyl-protein thioesterase 1
Authors:Marcaida, M.J, Audagnotto, M, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
6QGO
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BU of 6qgo by Molmil
Crystal structure of APT1 S119A mutant bound to palmitic acid.
Descriptor: Acyl-protein thioesterase 1, PALMITIC ACID
Authors:Audagnotto, M, Marcaida, M.J, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
6QGS
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BU of 6qgs by Molmil
Crystal structure of APT1 bound to palmitic acid.
Descriptor: Acyl-protein thioesterase 1, CHLORIDE ION, PALMITIC ACID
Authors:Audagnotto, M, Marcaida, M.J, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
7JVN
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BU of 7jvn by Molmil
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
7LAW
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BU of 7law by Molmil
crystal structure of GITR complex with GITR-L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
Authors:Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H.
Deposit date:2021-01-07
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy.
Nat Cancer, 3, 2022
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
Descriptor: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
Authors:Sprague, E.R, McNamara, J.T.
Deposit date:2015-12-10
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
2RMA
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BU of 2rma by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
3G4O
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BU of 3g4o by Molmil
Crystal structure of the activated aerolysin mutant H132N
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
3G4N
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BU of 3g4n by Molmil
Crystal structure of the activated aerolysin mutant H132D
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
2JO4
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BU of 2jo4 by Molmil
Tetrameric structure of KIA7 peptide
Descriptor: KIA7
Authors:Lopez de la Osa, J, Gonzalez, C, Laurents, D.V, Chakrabartty, A, Bateman, D.A.
Deposit date:2007-02-21
Release date:2007-09-18
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Getting specificity from simplicity in putative proteins from the prebiotic earth.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2JO5
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BU of 2jo5 by Molmil
Tetrameric structure of KIA7F peptide
Descriptor: KIA7F
Authors:Lopez de la Osa, J, Gonzalez, C, Laurents, D.V, Chakrabartty, A, Bateman, D.A.
Deposit date:2007-02-21
Release date:2007-09-18
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Getting specificity from simplicity in putative proteins from the prebiotic earth.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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