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PDB: 58 件

6NIE
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BU of 6nie by Molmil
BesD with Fe(II), chloride, and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, BesD, lysine halogenase, ...
著者Neugebauer, M.E, Chang, M.C.Y.
登録日2018-12-27
公開日2019-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A family of radical halogenases for the engineering of amino-acid-based products.
Nat.Chem.Biol., 15, 2019
7TWA
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BU of 7twa by Molmil
Crystal structure of apo BesC from Streptomyces cattleya
分子名称: 1,3-BUTANEDIOL, 4-chloro-allylglycine synthase, ACETATE ION, ...
著者Neugebauer, M.E, McBride, M.J, Boal, A.K, Chang, M.C.Y.
登録日2022-02-07
公開日2022-04-13
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate-Triggered mu-Peroxodiiron(III) Intermediate in the 4-Chloro-l-Lysine-Fragmenting Heme-Oxygenase-like Diiron Oxidase (HDO) BesC: Substrate Dissociation from, and C4 Targeting by, the Intermediate.
Biochemistry, 61, 2022
7U6I
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BU of 7u6i by Molmil
HalB with glycine and succinate
分子名称: GLYCEROL, GLYCINE, Halogenase B, ...
著者Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y.
登録日2022-03-04
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Proc.Natl.Acad.Sci.USA, 120, 2023
3HMV
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BU of 3hmv by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor
分子名称: (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Somers, D.O, Neu, M.
登録日2009-05-29
公開日2010-06-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode
Bioorg.Med.Chem., 17, 2009
5LD8
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BU of 5ld8 by Molmil
GSK3011724A cocrystallised with Mycobacterium tuberculosis H37Rv KasA
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Chung, C.W, Neu, M.
登録日2016-06-23
公開日2016-09-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Identification of KasA as the cellular target of an anti-tubercular scaffold.
Nat Commun, 7, 2016
5LMB
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BU of 5lmb by Molmil
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
分子名称: 7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine, GLYCEROL, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M.
登録日2016-07-29
公開日2016-09-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
1H76
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BU of 1h76 by Molmil
The crystal structure of diferric porcine serum transferrin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Hall, D.R, Hadden, J.M, Leonard, G.A, Bailey, S, Neu, M, Winn, M, Lindley, P.F.
登録日2001-07-03
公開日2002-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Crystal and Molecular Structures of Diferric Porcine and Rabbit Serum Transferrins at Resolutions of 2.15 And 2.60A, Respectively
Acta Crystallogr.,Sect.D, 58, 2002
5LMA
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BU of 5lma by Molmil
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Tyrosine-protein kinase SYK, ...
著者Somers, D.O, Neu, M.
登録日2016-07-29
公開日2016-09-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
1GVC
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BU of 1gvc by Molmil
18kDa N-II domain fragment of duck ovotransferrin + NTA
分子名称: CARBONATE ION, FE (III) ION, NITRILOTRIACETIC ACID, ...
著者Kuser, P, Hall, D.R, Haw, M.L, Neu, M, Lindley, P.F.
登録日2002-02-07
公開日2002-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mechanism of Iron Uptake by Transferrins: The X-Ray Structures of the 18 kDa Nii Domain Fragment of Duck Ovotransferrin and its Nitrilotriacetate Complex
Acta Crystallogr.,Sect.D, 58, 2002
1GV8
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BU of 1gv8 by Molmil
18 kDa fragment of N-II domain of duck ovotransferrin
分子名称: CARBONATE ION, FE (III) ION, GLYCINE, ...
著者Kuser, P, Hall, D.R, Haw, M.L, Neu, M, Lindley, P.F.
登録日2002-02-07
公開日2002-02-12
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Mechanism of Iron Uptake by Transferrins: The X-Ray Structures of the 18 kDa Nii Domain Fragment of Duck Ovotransferrin and its Nitrilotriacetate Complex
Acta Crystallogr.,Sect.D, 58, 2002
3ZRM
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BU of 3zrm by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
分子名称: 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
登録日2011-06-17
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3ZRK
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BU of 3zrk by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
分子名称: 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
登録日2011-06-16
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3ZRL
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BU of 3zrl by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
分子名称: 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
登録日2011-06-17
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4AFJ
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BU of 4afj by Molmil
5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors
分子名称: 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S.
登録日2012-01-19
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3D3P
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BU of 3d3p by Molmil
Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor
分子名称: 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ARSENIC, MAGNESIUM ION, ...
著者Somers, D.O, Neu, M.
登録日2008-05-12
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6Q4R
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BU of 6q4r by Molmil
High-resolution crystal structure of ERAP1 with bound phosphinic transition-state analogue inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Giastas, P, Neu, M, Rowland, P, Stratikos, E.
登録日2018-12-06
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor.
Acs Med.Chem.Lett., 10, 2019
3GWT
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BU of 3gwt by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor
分子名称: 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
著者Somers, D.O, Neu, M.
登録日2009-04-01
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
Bioorg.Med.Chem.Lett., 19, 2009
3FRG
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BU of 3frg by Molmil
Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor
分子名称: 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
著者Somers, D.O, Neu, M.
登録日2009-01-08
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Bioorg.Med.Chem.Lett., 19, 2009
1JNF
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BU of 1jnf by Molmil
Rabbit serum transferrin at 2.6 A resolution.
分子名称: CARBONATE ION, CHLORIDE ION, FE (III) ION, ...
著者Hall, D.R, Hadden, J.M, Leonard, G.A, Bailey, S, Neu, M, Winn, M, Lindley, P.F.
登録日2001-07-24
公開日2001-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal and molecular structures of diferric porcine and rabbit serum transferrins at resolutions of 2.15 and 2.60 A, respectively.
Acta Crystallogr.,Sect.D, 58, 2002
4YJV
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BU of 4yjv by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
分子名称: 3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
to be published
4YJP
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BU of 4yjp by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223
分子名称: 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJU
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BU of 4yju by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249
分子名称: N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJT
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BU of 4yjt by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233
分子名称: GLYCEROL, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJR
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BU of 4yjr by Molmil
SYK kinase domain in complex with inhibitor GTC000225
分子名称: 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJQ
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BU of 4yjq by Molmil
SYK kinase domain in complex with inhibitor GTC000224
分子名称: 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011

 

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