Legacy flatfile-incompatible PDB entries

7FJ3	Cryo-EM structure of PRV A-capid Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... Authors: Zheng, Q, Li, S, Zha, Z, Sun, H. Deposit date: 2021-08-02 Release date: 2022-06-22 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (4.53 Å) Cite: Structures of pseudorabies virus capsids. Nat Commun, 13, 2022
7FO8	PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H06 from the F2X-Universal Library Descriptor: A1 cistron-splicing factor AAR2, N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide, Pre-mRNA-splicing factor 8 Authors: Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. Deposit date: 2022-08-26 Release date: 2022-11-02 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
7FTG	Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP Descriptor: Cyclic GMP-AMP synthase, ZINC ION, cGAMP Authors: Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. Deposit date: 2023-02-08 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
7GSA	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	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
7GSL	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000274b Descriptor: 2-(methylsulfanyl)pyridine-3-carboxamide, 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 (1.77 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSM	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000437b Descriptor: (5P)-5-(furan-2-yl)thiophene-2-carboxylic acid, 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 (2.03 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSO	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000029a Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [2-(morpholin-4-yl)-5-(trifluoromethyl)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 (1.72 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSR	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
7GST	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000056a Descriptor: 1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline, 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 (1.64 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSV	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000830b Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(ethylamino)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 (1.92 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSW	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000422b Descriptor: (3M)-3-(furan-2-yl)benzoic acid, 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 (1.79 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSY	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
7GT0	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000275a Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-benzyl-N'-methyl-N-[(pyridin-3-yl)methyl]thiourea, 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 (1.76 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GT1	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000209a Descriptor: (2S)-2-(2-chloro-6-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-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 (1.91 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GT3	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000527a Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3R,3aS,8bS)-1-acetyl-5-methyl-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrole-3-carboxylate 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 (1.59 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GT4	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000528a Descriptor: (4R)-4-hydroxy-2-(2-hydroxyethyl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 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 (1.75 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GT5	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
7GT6	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000530a Descriptor: (3aS,8aS)-6-benzoyloctahydropyrrolo[3,4-d]azepin-1(2H)-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 (1.66 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GT7	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
7GT9	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000463b Descriptor: (3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile, 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 (1.9 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTA	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000065a Descriptor: (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, 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 (2.06 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTD	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
7GTE	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000646b Descriptor: (5S)-5-(trifluoromethyl)-1,4-diazepane, 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 (1.9 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTG	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000684a Descriptor: (5R,7S,8R,8aS)-2-(cyclopropylmethyl)-8-phenyloctahydropyrrolo[1,2-a]pyrazine-7-carboxamide, 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

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