3SJ3
 
 | | Crystal structure of the mutant R160A.Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-06-20 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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3SJN
 | | Crystal structure of enolase Spea_3858 (target EFI-500646) from Shewanella pealeana with magnesium bound | | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein, ... | | Authors: | Patskovsky, Y, Kim, J, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-06-21 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Enolase Spea_3858 from Shewanella Pealeana
To be Published
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3GJD
 | | Crystal Structure of LeuT with bound OG | | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
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3GDM
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5SDR
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1273312153 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-methyl-1H-indole-7-carboxamide | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.077 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDI
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z44592329 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-phenyl-N'-pyridin-3-ylurea | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDP
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954 | | Descriptor: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDF
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434834 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (1.877 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDN
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z437584380 | | Descriptor: | (4-chlorophenyl)(thiomorpholin-4-yl)methanone, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.023 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDD
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434879 | | Descriptor: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDM
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1328078283 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDS
 | | PanDDA analysis group deposition of ground-state model of Porphyromonas gingivalis DPP11 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | Authors: | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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3GDT
 | | Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-02-24 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3GJC
 | | Crystal Structure of the E290S mutant of LeuT with bound OG | | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
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5SLA
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278 | | Descriptor: | 1-cyclohexyl-N-methylmethanesulfonamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6WY0
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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5SLP
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898 | | Descriptor: | N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SM4
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434944 | | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SL0
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57260516 | | Descriptor: | 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3GIS
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5SL5
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663 | | Descriptor: | N,N,2,3-tetramethylbenzamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SLE
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56880342 | | Descriptor: | N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SKY
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z466628048 | | Descriptor: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SLL
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54615640 | | Descriptor: | N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SLD
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1246465616 | | Descriptor: | (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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