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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
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
7GSR
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BU of 7gsr by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000055b
Descriptor: 2-(piperidin-1-yl)benzamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.69 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
7GTT
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BU of 7gtt by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000148a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(3,4-dihydroquinoline-1(2H)-carbothioyl)propanamide, 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 (1.93 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
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
7GSB
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BU of 7gsb by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000438a
Descriptor: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
8U1E
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BU of 8u1e by Molmil
Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group P43212 with two distinctly ordered chains
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Sharma, S, Mehlman, S.T, Keedy, D.A.
Deposit date:2023-08-31
Release date:2023-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:High-resolution double vision of the allosteric phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 80, 2024
9CYO
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BU of 9cyo by Molmil
Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYQ
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BU of 9cyq by Molmil
Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYR
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BU of 9cyr by Molmil
Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYP
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BU of 9cyp by Molmil
Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
6QJZ
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BU of 6qjz by Molmil
Identificationand Characterization of an Oxalylfrom Grass pea (Lathyrus sativusCoA-Synthetase L.)
Descriptor: ADENOSINE MONOPHOSPHATE, oxalyl CoA-synthetase
Authors:Dym, O.
Deposit date:2019-01-28
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The identification and characterization of an oxalyl-CoA synthetase from grass pea ( Lathyrus sativus L.).
Rsc Chem Biol, 3, 2022
3NVJ
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BU of 3nvj by Molmil
Crystal structure of the C143A/C166A mutant of Ero1p
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, Endoplasmic oxidoreductin-1, ...
Authors:Fass, D, Vonshak, O.
Deposit date:2010-07-08
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Steps in reductive activation of the disulfide-generating enzyme Ero1p
Protein Sci., 19, 2010
7R65
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BU of 7r65 by Molmil
Crystal structure of a bacterial cyclic UMP synthase from Burkholderia cepacia LK29
Descriptor: Adenylate/guanylate cyclase
Authors:Morehouse, B.R, Kranzusch, P.J.
Deposit date:2021-06-22
Release date:2021-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cyclic CMP and cyclic UMP mediate bacterial immunity against phages.
Cell, 184, 2021
6YBH
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BU of 6ybh by Molmil
Deoxyribonucleoside Kinase
Descriptor: Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ...
Authors:Allouche-Arnon, H, Bar-Shir, A, Dym, O.
Deposit date:2020-03-17
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
6ZBS
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BU of 6zbs by Molmil
Beta ODAP Synthetase (BOS)
Descriptor: Beta ODAP Synthetase (BOS), DI(HYDROXYETHYL)ETHER, MAGNESIUM ION
Authors:Dym, O.
Deposit date:2020-06-09
Release date:2022-01-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea.
J.Biol.Chem., 298, 2022
8FNW
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BU of 8fnw by Molmil
Structure of RdrA-RdrB complex from Escherichia coli RADAR defense system
Descriptor: Adenosine deaminase, Archaeal ATPase, ZINC ION
Authors:Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J.
Deposit date:2022-12-28
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (6.73 Å)
Cite:Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
8FNT
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BU of 8fnt by Molmil
Structure of RdrA from Escherichia coli RADAR defense system
Descriptor: Archaeal ATPase
Authors:Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J.
Deposit date:2022-12-28
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
8FNV
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BU of 8fnv by Molmil
Structure of RdrB from Escherichia coli RADAR defense system
Descriptor: Adenosine deaminase, ZINC ION
Authors:Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J.
Deposit date:2022-12-28
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
8FNU
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BU of 8fnu by Molmil
Structure of RdrA from Streptococcus suis RADAR defense system
Descriptor: KAP NTPase domain-containing protein
Authors:Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J.
Deposit date:2022-12-28
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
3M31
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BU of 3m31 by Molmil
Structure of the C150A/C295A mutant of S. cerevisiae Ero1p
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, Endoplasmic oxidoreductin-1, ...
Authors:Heldman, N, Fass, D.
Deposit date:2010-03-08
Release date:2010-11-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Steps in reductive activation of the disulfide-generating enzyme Ero1p
Protein Sci., 19, 2010
3T58
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BU of 3t58 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A, Gat, Y.
Deposit date:2011-07-27
Release date:2012-05-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
3T59
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BU of 3t59 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A, Gat, Y.
Deposit date:2011-07-27
Release date:2012-05-30
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012

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PDB entries from 2024-11-06

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