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5RLT
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498
分子名称: 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, Helicase, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMB
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434920
分子名称: Helicase, PHOSPHATE ION, ZINC ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
分子名称: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5RLK
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419
分子名称: 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, Helicase, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM1
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412
分子名称: Helicase, N-[4-(aminomethyl)phenyl]methanesulfonamide, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMK
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153
分子名称: Helicase, N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLB
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z216450634
分子名称: Helicase, N-cycloheptyl-N-methylmethanesulfonamide, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLP
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z166605480
分子名称: (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine, Helicase, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.562 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMA
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BU of 5rma by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z321318226
分子名称: Helicase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, PHOSPHATE ION, ...
著者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.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
2FVV
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Human Diphosphoinositol polyphosphate phosphohydrolase 1
分子名称: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
著者Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC)
登録日2006-01-31
公開日2006-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of human diphosphoinositol phosphatase 1
Proteins, 77, 2009
2FVZ
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Human Inositol Monophosphosphatase 2
分子名称: Inositol monophosphatase 2
著者Ogg, D, Hallberg, B.M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Structural Genomics Consortium (SGC)
登録日2006-01-31
公開日2006-02-21
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Human Inositol Monophosphatase 2
To be published
1C2X
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5S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP AT 7.5 ANGSTROMS RESOLUTION
分子名称: 5S RIBOSOMAL RNA
著者Brimacombe, R, Mueller, F.
登録日1999-07-28
公開日2000-04-10
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
2UX0
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BU of 2ux0 by Molmil
Structure of the oligomerisation domain of calcium-calmodulin dependent protein kinase II gamma
分子名称: CALCIUM-CALMODULIN DEPENDENT PROTEIN KINASE (CAM KINASE) II GAMMA, GLYCINE
著者Bunkoczi, G, Debreczeni, J.E, Salah, E, Gileadi, O, Rellos, P, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Turnbull, A, Pike, A.C.W, Knapp, S.
登録日2007-03-26
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2UVL
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BU of 2uvl by Molmil
Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3)
分子名称: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION
著者Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P.
登録日2007-03-12
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
2WWU
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BU of 2wwu by Molmil
Crystal structure of the catalytic domain of PHD finger protein 8
分子名称: ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ...
著者Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U.
登録日2009-10-29
公開日2009-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
2WEL
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Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin
分子名称: (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S.
登録日2009-03-31
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2WA0
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Crystal structure of the human MAGEA4
分子名称: MELANOMA-ASSOCIATED ANTIGEN 4
著者Roos, A.K, Cooper, C.D.O, Ugochukwu, E, W Yue, W, Berridge, G, Elkins, J.M, Pike, A.C.W, Bray, J, Filippakopoulos, P, Muniz, J, Chaikuad, A, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O, Oppermann, U.
登録日2009-01-31
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
1C2W
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23S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP AT 7.5 ANGSTROMS RESOLUTION
分子名称: 23S RIBOSOMAL RNA
著者Brimacombe, R, Mueller, F.
登録日1999-07-28
公開日2000-04-10
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
2VZ6
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Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with Indirubin E804
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, CALCIUM CALMODULIN DEPENDENT PROTEIN KINASE TYPE II ALPHA CHAIN, S-1,2-PROPANEDIOL
著者Pike, A.C.W, Rellos, P, King, O, Salah, E, Parizotto, E, Fedorov, O, Shrestha, L, Burgess-Brown, N, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstroem, M, Bountra, C, Knapp, S.
登録日2008-07-30
公開日2008-08-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2W2C
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STRUCTURE OF THE TETRADECAMERIC OLIGOMERISATION DOMAIN OF CALCIUM- CALMODULIN DEPENDENT PROTEIN KINASE II DELTA
分子名称: ACETATE ION, CADMIUM ION, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN
著者Pike, A.C.W, Rellos, P, Sethi, R, Salah, E, Burgess-Brown, N, Shrestha, L, Roos, A, Murray, J.W, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S.
登録日2008-10-28
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2WH5
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Crystal structure of human acyl-CoA binding domain 4 complexed with stearoyl-CoA
分子名称: ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4, COENZYME A, STEARIC ACID, ...
著者Yue, W.W, Shafqat, N, Ugochukwu, E, Savitsky, P, Johansson, C, Salah, E, Roos, A.K, Chaikuad, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-04-30
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Human Acyl-Coa Binding Domain 4
To be Published
2WW0
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Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, CALCIUM ION, GLYCEROL, ...
著者Suits, M.D.L, Thompson, A, Zhu, Y, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVZ
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Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
分子名称: CALCIUM ION, GLYCEROL, KIFUNENSINE, ...
著者Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WWW
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Crystal Structure of Methylmalonic Acidemia Type A Protein
分子名称: GUANOSINE-5'-DIPHOSPHATE, METHYLMALONIC ACIDURIA TYPE A PROTEIN, MITOCHONDRIAL, ...
著者Muniz, J.R.C, Gileadi, C, Froese, D.S, Yue, W.W, Pike, A.C.W, von Delft, F, Kochan, G, Sethi, R, Chaikuad, A, Pilka, E, Picaud, S, Phillips, C, Guo, K, Krysztofinska, E, Bray, J, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gravel, R.A, Kavanagh, K.L, Oppermann, U.
登録日2009-10-30
公開日2009-11-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
1JD3
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Chorismate lyase G90A mutant with bound product
分子名称: P-HYDROXYBENZOIC ACID, chorismate lyase
著者Mayhew, M, Smith, N, Holden, M.J, Gallagher, D.T.
登録日2001-06-12
公開日2001-06-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006

223790

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