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PDB: 4673 件
3MY0
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BU of 3my0 by Molmil
Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189
分子名称: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3
著者Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-05-08
公開日2010-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
3KHF
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BU of 3khf by Molmil
The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated serine/threonine-protein kinase 3
著者Roos, A, Elkins, J, Savitsky, P, Wang, J, Ugochukwu, E, Murray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)
To be Published
2P02
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BU of 2p02 by Molmil
Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
分子名称: CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2
著者Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-28
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
To be Published
2P0A
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BU of 2p0a by Molmil
The crystal structure of human synapsin III (SYN3) in complex with AMPPNP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Turnbull, A.P, Phillips, C, Pike, A.C.W, Elkins, J.M, Gileadi, C, Salah, E, Niesen, F.H, Burgess, N, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2007-02-28
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of human synapsin III (SYN3) in complex with AMPPNP
To be Published
3BPT
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BU of 3bpt by Molmil
Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin
分子名称: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 3-hydroxyisobutyryl-CoA hydrolase
著者Pilka, E.S, Phillips, C, King, O.N.F, Guo, K, von Delft, F, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-12-19
公開日2008-01-08
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin.
To be Published
6YB7
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BU of 6yb7 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19).
分子名称: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE
著者Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
登録日2020-03-16
公開日2020-03-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献COVID-19 main protease with unliganded active site
To Be Published
6YIK
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BU of 6yik by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
分子名称: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
2JC6
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BU of 2jc6 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D
分子名称: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
著者Debreczeni, J.E, Rellos, P, Fedorov, O, Niesen, F.H, Bhatia, C, Shrestha, L, Salah, E, Smee, C, Colebrook, S, Berridge, G, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Pike, A.C.W, von Delft, F, Knapp, S, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.
登録日2006-12-19
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D
To be Published
2JIF
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BU of 2jif by Molmil
Structure of human short-branched chain acyl-CoA dehydrogenase (ACADSB)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A PERSULFIDE, ...
著者Pike, A.C.W, Hozjan, V, Smee, C, Niesen, F.H, Kavanagh, K.L, Umeano, C, Turnbull, A.P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Oppermann, U.
登録日2007-02-28
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase
To be Published
3KVW
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BU of 3kvw by Molmil
Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
分子名称: (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
To be Published
6Y7H
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BU of 6y7h by Molmil
Structure of the BRD9 bromodomain and compound 11
分子名称: 1,2-ETHANEDIOL, 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6Y7G
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BU of 6y7g by Molmil
Structure of the human RAB3C in complex with GDP
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-02-29
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the human RAB3C in complex with GDP
To Be Published
6Y7I
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BU of 6y7i by Molmil
Structure of the BRD9 bromodomain and compound 2
分子名称: 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain and compound 2
To Be Published
6Y7J
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Structure of the BRD9 bromodomain and compound 15
分子名称: 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6Y7K
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BU of 6y7k by Molmil
Structure of the BRD9 bromodomain and compound 27
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
3MS5
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BU of 3ms5 by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
分子名称: 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ...
著者Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-04-29
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
6Y84
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BU of 6y84 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
登録日2020-03-03
公開日2020-03-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献COVID-19 main protease with unliganded active site
To Be Published
3MDZ
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BU of 3mdz by Molmil
Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
3MDY
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BU of 3mdy by Molmil
Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
分子名称: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A
著者Chaikuad, A, Sanvitale, C, Mahajan, P, Daga, N, Cooper, C, Krojer, T, Alfano, I, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
To be Published
3EPY
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BU of 3epy by Molmil
Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa
分子名称: Acyl-CoA-binding domain-containing protein 7, COENZYME A, PALMITIC ACID
著者Kavanagh, K.L, Salah, E, Yue, W.W, Savitsky, P, Murray, J.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-09-30
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa
To be Published
3MAO
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BU of 3mao by Molmil
Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
分子名称: FE (III) ION, MALONATE ION, Methionine-R-sulfoxide reductase B1, ...
著者Chaikuad, A, Shafqat, N, Yue, W.W, Savitsky, P, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-03-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
To be Published
2NZJ
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BU of 2nzj by Molmil
The crystal structure of REM1 in complex with GDP
分子名称: CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-11-23
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of REM1 in complex with GDP
To be Published
3OP3
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BU of 3op3 by Molmil
Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens
分子名称: M-phase inducer phosphatase 3, SULFATE ION
著者Kim, Y, Weger, A, Hatzos, C, Savitsky, P, Johansson, C, Ball, L, Barr, A, Vollmar, M, Muniz, J, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, von Delft, F, Knapp, S, Joachimiak, A, Structural Genomics Consortium (SGC)
登録日2010-08-31
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens
TO BE PUBLISHED
3O4R
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BU of 3o4r by Molmil
Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dehydrogenase/reductase SDR family member 4, ...
著者Ugochukwu, E, Bhatia, C, Krojer, T, Vollmar, M, Yue, W.W, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-07-27
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4)
To be Published
3NR3
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Crystal Structure of Human Peripheral Myelin Protein 2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, CITRIC ACID, ...
著者Ugochukwu, E, Pilka, E, Phillips, C, Yue, W.W, Krojer, T, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-06-30
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Human Peripheral Myelin Protein 2
To be Published

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件を2024-07-31に公開中

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