5RVZ
 
 | | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1929757385 | | Descriptor: | (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ... | | Authors: | Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDQ
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434887 | | Descriptor: | 2-[(morpholin-4-yl)methyl]phenol, 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 (1.92 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDO
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z19735067 | | Descriptor: | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one, 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 (2.051 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDC
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434912 | | Descriptor: | 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, 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 (1.928 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDL
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z321318226 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(4-methoxyphenyl)-N'-pyridin-4-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 (2.44 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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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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5S7F
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | XChem group deposition
To Be Published
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5S7O
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | XChem group deposition
To Be Published
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5S7R
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a | | Descriptor: | 1,2-ETHANEDIOL, 1lambda~6~,2-thiazetidine-1,1-dione, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | XChem group deposition
To Be Published
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5S80
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | XChem group deposition
To Be Published
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5S7J
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-oxolan-2-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | XChem group deposition
To Be Published
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5S7U
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a | | Descriptor: | (4S)-1-methylimidazolidin-4-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | XChem group deposition
To Be Published
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5S82
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-12-11 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | XChem group deposition
To Be Published
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5SBF
 | | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU | | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-07-23 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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5SDE
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1619978933 | | Descriptor: | 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-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 (1.854 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDK
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z416341642 | | Descriptor: | (2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, 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 (1.977 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDJ
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z32327641 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | | 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 (2.041 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5SDG
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z136583524 | | Descriptor: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, 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 (1.95 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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