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5QP1
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BU of 5qp1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1190363272
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRI
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BU of 5qri by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2856434826
分子名称: CADMIUM ION, T-box transcription factor T, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRW
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BU of 5qrw by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1509882419
分子名称: 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, CADMIUM ION, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSB
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BU of 5qsb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434874
分子名称: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QR4
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BU of 5qr4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434826
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOR
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BU of 5qor by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1203490773
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRJ
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BU of 5qrj by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z416341642
分子名称: (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, CADMIUM ION, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QP0
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BU of 5qp0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z454376544
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GPM
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BU of 7gpm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z979742720
分子名称: 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole, DIMETHYL SULFOXIDE, Protease 3C
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GPD
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BU of 7gpd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57472297
分子名称: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, Protease 3C
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SNP
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BU of 5snp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z381729066
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(propan-2-yl)-1H-pyrazole-3-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNJ
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BU of 5snj by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z906021418
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
7GPC
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BU of 7gpc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57328552
分子名称: 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol, DIMETHYL SULFOXIDE, Protease 3C
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7FVN
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BU of 7fvn by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z371875396
分子名称: N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
登録日2023-03-09
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7FV7
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BU of 7fv7 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z1929967066
分子名称: (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
登録日2023-03-09
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7H2K
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BU of 7h2k by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z18769001
分子名称: (2S)-2-(2-cyanophenoxy)propanamide, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7G9L
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BU of 7g9l by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z111782404
分子名称: (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RKY
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BU of 5rky by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1796014543
分子名称: 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide, PH-interacting protein
著者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.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5SDP
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BU of 5sdp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954
分子名称: 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者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.
登録日2022-01-20
公開日2022-02-09
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SLD
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BU of 5sld by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1246465616
分子名称: (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SLU
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BU of 5slu by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543
分子名称: 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7P6S
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BU of 7p6s by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6R
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BU of 7p6r by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
5QHJ
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BU of 5qhj by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000709a
分子名称: (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol, 1,2-ETHANEDIOL, IODIDE ION, ...
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QI1
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BU of 5qi1 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ...
著者Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J.
登録日2018-05-21
公開日2019-04-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published

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件を2024-06-19に公開中

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