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7GT8
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BU of 7gt8 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001439b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GT7
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BU of 7gt7 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001181b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, {2-[(oxan-4-yl)oxy]phenyl}methanol
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GS8
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BU of 7gs8 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000466a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSI
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BU of 7gsi by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000046b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-morpholin-4-ylaniline, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTU
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BU of 7gtu by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000297a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GS9
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BU of 7gs9 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000631a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSE
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BU of 7gse by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000383a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSG
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BU of 7gsg by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000316a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 4-sulfamoylbenzoate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
4Q8H
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BU of 4q8h by Molmil
Structure of the Saccharomyces cerevisiae PAN2 pseudoubiquitin-hydrolase-RNase module
Descriptor: MAGNESIUM ION, PAB-dependent poly(A)-specific ribonuclease subunit PAN2
Authors:Schaefer, I.B, Conti, E.
Deposit date:2014-04-27
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat.Struct.Mol.Biol., 21, 2014
4Q8G
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BU of 4q8g by Molmil
Structure of the Saccharomyces cerevisiae PAN2 pseudoubiquitin-hydrolase
Descriptor: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, ZINC ION
Authors:Schaefer, I.B, Conti, E.
Deposit date:2014-04-27
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat.Struct.Mol.Biol., 21, 2014
7GSA
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BU of 7gsa by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000260a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3-chlorophenyl)carbamate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GS7
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BU of 7gs7 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000621a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSQ
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BU of 7gsq by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000149a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(4-chlorophenyl)methyl]methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTD
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BU of 7gtd by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000110a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[2-(4-chlorophenyl)ethyl]hydrazinecarbothioamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSU
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BU of 7gsu by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000382a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(morpholin-4-yl)methyl]phenol, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTS
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BU of 7gts by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000604a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methoxyphenyl)glycinamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSY
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BU of 7gsy by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001175b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(pyridin-2-yl)oxy]benzonitrile, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GT5
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BU of 7gt5 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000529a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl [(3R,4S)-3-ethyl-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
3X1K
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BU of 3x1k by Molmil
crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with AMP-PNP from Pseudomonas aerugonosa
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ...
Authors:Chatterjee, R, Datta, S.
Deposit date:2014-11-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa
Biochim.Biophys.Acta, 1864, 2016
5AZI
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BU of 5azi by Molmil
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP
Descriptor: 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K.
Deposit date:2015-10-08
Release date:2016-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
5AZJ
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BU of 5azj by Molmil
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP (with disulfide bridge)
Descriptor: 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K.
Deposit date:2015-10-08
Release date:2016-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
3X1J
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BU of 3x1j by Molmil
Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa
Descriptor: ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Chatterjee, R, Datta, S.
Deposit date:2014-11-19
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa
Biochim.Biophys.Acta, 1864, 2016
4E1A
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BU of 4e1a by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution
Descriptor: GLYCEROL, Phosphopantetheine adenylyltransferase
Authors:Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P.
Deposit date:2012-03-06
Release date:2012-11-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction.
Acta Crystallogr.,Sect.D, 68, 2012
4FAY
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BU of 4fay by Molmil
Crystal structure of a trimeric bacterial microcompartment shell protein PduB with glycerol metabolites
Descriptor: ACETATE ION, GLYCEROL, Microcompartments protein
Authors:Pang, A.H, Prentice, M.B, Pickersgill, R.W.
Deposit date:2012-05-22
Release date:2012-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Substrate channels revealed in the trimeric Lactobacillus reuteri bacterial microcompartment shell protein PduB.
Acta Crystallogr.,Sect.D, 68, 2012
5NG1
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BU of 5ng1 by Molmil
TUBULIN-MTC-zampanolide complex
Descriptor: (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide, (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F.
Deposit date:2017-03-16
Release date:2017-10-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018

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PDB entries from 2025-07-09

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