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6Q3W
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BU of 6q3w by Molmil
Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
分子名称: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2018-12-04
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
To Be Published
6Q94
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BU of 6q94 by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man
分子名称: 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ...
著者Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2018-12-17
公開日2019-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
3NWU
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BU of 3nwu by Molmil
Substrate induced remodeling of the active site regulates HtrA1 activity
分子名称: SULFATE ION, Serine protease HTRA1
著者Truebestein, L, Tennstaedt, A, Hauske, P, Krojer, T, Kaiser, M, Clausen, T, Ehrmann, M.
登録日2010-07-11
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Substrate-induced remodeling of the active site regulates human HTRA1 activity.
Nat.Struct.Mol.Biol., 18, 2011
3NUM
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BU of 3num by Molmil
Substrate induced remodeling of the active site regulates HtrA1 activity
分子名称: Serine protease HTRA1
著者Truebestein, L, Tennstaedt, A, Hauske, P, Krojer, T, Kaiser, M, Clausen, T, Ehrmann, M.
登録日2010-07-07
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate-induced remodeling of the active site regulates human HTRA1 activity.
Nat.Struct.Mol.Biol., 18, 2011
3NZI
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BU of 3nzi by Molmil
Substrate induced remodeling of the active site regulates HtrA1 activity
分子名称: Citrate synthase, Serine protease HTRA1
著者Truebestein, L, Tennstaedt, A, Hauske, P, Krojer, T, Kaiser, M, Clausen, T, Ehrmann, M.
登録日2010-07-16
公開日2011-02-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate-induced remodeling of the active site regulates human HTRA1 activity.
Nat.Struct.Mol.Biol., 18, 2011
3PRY
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BU of 3pry by Molmil
Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
著者Chaikuad, A, Pilka, E, Sharpe, T.D, Cooper, C.D.O, Phillips, C, Berridge, G, Ayinampudi, V, Fedorov, O, Keates, T, Thangaratnarajah, C, Zimmermann, T, Vollmar, M, Yue, W.W, Che, K.H, Krojer, T, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-11-30
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
3II7
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BU of 3ii7 by Molmil
Crystal structure of the kelch domain of human KLHL7
分子名称: 1,2-ETHANEDIOL, Kelch-like protein 7
著者Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2009-07-31
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
J.Biol.Chem., 288, 2013
4QY4
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BU of 4qy4 by Molmil
Crystal structure of the bromodomain of human SMARCA2
分子名称: SMARCA2 protein, ZINC ION
著者Tallant, C, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-23
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of the bromodomain of human SMARCA2
To be Published
4UEG
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BU of 4ueg by Molmil
Crystal structure of human glycogenin-2 catalytic domain
分子名称: GLYCOGENIN-2, MAGNESIUM ION
著者Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-12-17
公開日2014-12-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
7N7W
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BU of 7n7w by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569
分子名称: N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease
著者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.
登録日2021-06-11
公開日2021-09-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N83
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BU of 7n83 by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438
分子名称: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease
著者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.
登録日2021-06-12
公開日2021-09-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7U
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BU of 7n7u by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7
分子名称: 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, Uridylate-specific endoribonuclease
著者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.
登録日2021-06-11
公開日2021-09-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7R
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BU of 7n7r by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267
分子名称: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, Uridylate-specific endoribonuclease
著者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.
登録日2021-06-11
公開日2021-09-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7Y
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BU of 7n7y by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050
分子名称: Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate
著者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.
登録日2021-06-11
公開日2021-09-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
3K2J
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BU of 3k2j by Molmil
Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
分子名称: CHLORIDE ION, Protein polybromo-1, SULFATE ION
著者Filippakopoulos, P, Picaud, S, Keates, T, Chaikuad, A, Pike, A.C.W, Krojer, T, Sethi, R, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-09-30
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
7BBU
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BU of 7bbu by Molmil
Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
分子名称: 1,2-ETHANEDIOL, Bifunctional glutamate/proline--tRNA ligase, CHLORIDE ION, ...
著者Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Krojer, T, Oppermann, U.C.T.
登録日2020-12-18
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
To Be Published
3NR9
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BU of 3nr9 by Molmil
Structure of human CDC2-like kinase 2 (CLK2)
分子名称: (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2
著者Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-06-30
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of human CDC2-like kinase 2 (CLK2)
To be Published
7R4O
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BU of 7r4o by Molmil
Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
分子名称: 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2022-02-08
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
7R4P
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BU of 7r4p by Molmil
Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
分子名称: 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2022-02-09
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
3P1A
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BU of 3p1a by Molmil
Structure of human Membrane-associated Tyrosine- and Threonine-specific cdc2-inhibitory kinase MYT1 (PKMYT1)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
著者Chaikuad, A, Eswaran, J, Fedorov, O, Cooper, C.D.O, Kroeler, T, Vollmar, M, Krojer, T, Berridge, G, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-09-30
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human Membrane-associated Tyrosine- and Threonine-specific cdc2-inhibitory kinase MYT1 (PKMYT1)
To be Published
7R4N
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BU of 7r4n by Molmil
Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ...
著者Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2022-02-08
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
6ROG
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BU of 6rog by Molmil
Crystal Structure of the KELCH domain of human KEAP1
分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, SODIUM ION
著者Sethi, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bullock, A.N, von Delft, F, Structural Genomics Consortium (SGC)
登録日2019-05-13
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structure of the KELCH domain of human KEAP1
To Be Published
3STI
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BU of 3sti by Molmil
Crystal structure of the protease domain of DegQ from Escherichia coli
分子名称: Protease degQ
著者Sawa, J, Malet, H, Krojer, T, Canellas, F, Ehrmann, M, Clausen, T.
登録日2011-07-11
公開日2011-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular adaptation of the DegQ protease to exert protein quality control in the bacterial cell envelope.
J.Biol.Chem., 286, 2011
3STJ
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BU of 3stj by Molmil
Crystal structure of the protease + PDZ1 domain of DegQ from Escherichia coli
分子名称: Protease degQ, peptide (UNK)
著者Sawa, J, Malet, H, Krojer, T, Canellas, F, Ehrmann, M, Clausen, T.
登録日2011-07-11
公開日2011-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular adaptation of the DegQ protease to exert protein quality control in the bacterial cell envelope.
J.Biol.Chem., 286, 2011
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
分子名称: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
登録日2019-06-28
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of human KCTD1
To be published

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