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PDB: 2033 results

5RVW
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BU of 5rvw by Molmil
PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1587220559
Descriptor: 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, 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 (1.614 Å)
Cite:PanDDA analysis group deposition
To Be Published
5RJN
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BU of 5rjn by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024673
Descriptor: 4-bromo-1-(2-methoxyethyl)-1H-pyrazole, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.435 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK4
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BU of 5rk4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z56791867
Descriptor: N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.284 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKH
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BU of 5rkh by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31432917
Descriptor: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.252 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKX
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BU of 5rkx by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1324080698
Descriptor: 3-fluoro-5-methylbenzene-1-sulfonamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJM
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BU of 5rjm by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024671
Descriptor: 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.407 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK6
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BU of 5rk6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194394
Descriptor: 4-(4-fluorophenyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKL
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BU of 5rkl by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403
Descriptor: 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJS
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BU of 5rjs by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285642082
Descriptor: N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5S73
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BU of 5s73 by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
Descriptor: Non-structural protein 3
Authors:Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
Deposit date:2020-11-23
Release date:2021-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
To Be Published
5RJP
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BU of 5rjp by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024672
Descriptor: 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.242 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK3
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BU of 5rk3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1501469697
Descriptor: 3-amino-1,6-dimethylpyridin-2(1H)-one, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKN
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BU of 5rkn by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768900
Descriptor: N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJW
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BU of 5rjw by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z256709556
Descriptor: 3-methylthiophene-2-carboxylic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.514 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKB
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BU of 5rkb by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2004563941
Descriptor: (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.279 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKR
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BU of 5rkr by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1432018343
Descriptor: (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJO
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BU of 5rjo by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00023827
Descriptor: 6-bromo-1,3-dihydro-2H-indol-2-one, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK1
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BU of 5rk1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1507502062
Descriptor: 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKI
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BU of 5rki by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396
Descriptor: 4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RW0
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BU of 5rw0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z2444997446
Descriptor: 1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine, 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 (1.673 Å)
Cite:PanDDA analysis group deposition
To Be Published
5RJX
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BU of 5rjx by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285782452
Descriptor: N-methyl-2-(methylsulfonyl)aniline, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKD
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BU of 5rkd by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2168282707
Descriptor: (6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.237 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKU
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BU of 5rku by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z32367954
Descriptor: PH-interacting protein, ~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJQ
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BU of 5rjq by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024665
Descriptor: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK5
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BU of 5rk5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57478994
Descriptor: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.243 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published

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PDB entries from 2024-10-09

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