5RLS
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![BU of 5rls by Molmil](/molmil-images/mine/5rls) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945 | Descriptor: | Helicase, N-hydroxyquinoline-2-carboxamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.278 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RMD
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![BU of 5rmd by Molmil](/molmil-images/mine/5rmd) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330 | Descriptor: | Helicase, N-ethyl-4-[(methylsulfonyl)amino]benzamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5ROB
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![BU of 5rob by Molmil](/molmil-images/mine/5rob) | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 helicase | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-22 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RLI
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![BU of 5rli by Molmil](/molmil-images/mine/5rli) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45617795 | Descriptor: | Helicase, N-(2-phenylethyl)methanesulfonamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RLT
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![BU of 5rlt by Molmil](/molmil-images/mine/5rlt) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498 | Descriptor: | 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RMB
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![BU of 5rmb by Molmil](/molmil-images/mine/5rmb) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434920 | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RLK
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![BU of 5rlk by Molmil](/molmil-images/mine/5rlk) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419 | Descriptor: | 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RM1
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![BU of 5rm1 by Molmil](/molmil-images/mine/5rm1) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412 | Descriptor: | Helicase, N-[4-(aminomethyl)phenyl]methanesulfonamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RMK
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![BU of 5rmk by Molmil](/molmil-images/mine/5rmk) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153 | Descriptor: | Helicase, N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5SDE
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![BU of 5sde by Molmil](/molmil-images/mine/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
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![BU of 5sdk by Molmil](/molmil-images/mine/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
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![BU of 5sdj by Molmil](/molmil-images/mine/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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5SDH
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![BU of 5sdh by Molmil](/molmil-images/mine/5sdh) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434854 | Descriptor: | 1-[(3-methoxyphenyl)methyl]piperidine-4-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 (2.313 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SDG
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![BU of 5sdg by Molmil](/molmil-images/mine/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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5SDO
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![BU of 5sdo by Molmil](/molmil-images/mine/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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5SDQ
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![BU of 5sdq by Molmil](/molmil-images/mine/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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5SDC
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![BU of 5sdc by Molmil](/molmil-images/mine/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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5SDI
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![BU of 5sdi by Molmil](/molmil-images/mine/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
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![BU of 5sdp by Molmil](/molmil-images/mine/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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5SDL
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![BU of 5sdl by Molmil](/molmil-images/mine/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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7FV1
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![BU of 7fv1 by Molmil](/molmil-images/mine/7fv1) | PanDDA analysis group deposition -- PHIP in complex with Z4912742920 | Descriptor: | PH-interacting protein, tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVG
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![BU of 7fvg by Molmil](/molmil-images/mine/7fvg) | PanDDA analysis group deposition -- PHIP in complex with Z992453336 | Descriptor: | N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVL
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![BU of 7fvl by Molmil](/molmil-images/mine/7fvl) | PanDDA analysis group deposition -- PHIP in complex with Z4140355932 | Descriptor: | N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FV2
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![BU of 7fv2 by Molmil](/molmil-images/mine/7fv2) | PanDDA analysis group deposition -- PHIP in complex with Z445899798 | Descriptor: | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FVA
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![BU of 7fva by Molmil](/molmil-images/mine/7fva) | PanDDA analysis group deposition -- PHIP in complex with Z4913872963 | Descriptor: | (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | PanDDA analysis group deposition To Be Published
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