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3HDZ
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BU of 3hdz by Molmil
Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors
分子名称: 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Cubbage, J.W, Brown, D.G, Jacobsen, E.J, Walker, J.K, Hughes, R.O.
登録日2009-05-07
公開日2009-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4CCL
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BU of 4ccl by Molmil
X-Ray structure of E. coli ycfD
分子名称: 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION
著者McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J.
登録日2013-10-23
公開日2014-04-30
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4DIQ
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BU of 4diq by Molmil
Crystal Structure of human NO66
分子名称: Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-01-31
公開日2012-03-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of human NO66
TO BE PUBLISHED
4CUG
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BU of 4cug by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase in complex substrate fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S RIBOSOMAL PROTEIN L16, CUPIN 4 FAMILY PROTEIN, ...
著者McDonough, M.A, Sekirnik, R, Schofield, C.J.
登録日2014-03-18
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CSW
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BU of 4csw by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase
分子名称: CITRIC ACID, CUPIN 4 FAMILY PROTEIN, GLYCEROL, ...
著者McDonough, M.A, Sekirnik, R, Schofield, C.J.
登録日2014-03-11
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
5FSL
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BU of 5fsl by Molmil
MTH1 substrate recognition: Complex with a methylaminopurinone
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE, SULFATE ION
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSM
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BU of 5fsm by Molmil
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSO
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BU of 5fso by Molmil
MTH1 substrate recognition: Complex with a methylaminopyrimidinedione.
分子名称: 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2017-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
5FSI
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BU of 5fsi by Molmil
MTH1 substrate recognition: Complex with 8-oxo-dGTP.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSN
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BU of 5fsn by Molmil
MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol.
分子名称: 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSK
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BU of 5fsk by Molmil
MTH1 substrate recognition: Complex with 8-oxo-dGTP.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5G55
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BU of 5g55 by Molmil
3-Quinoline Carboxamides inhibitors of Pi3K
分子名称: 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Edman, K, Phillips, C.
登録日2016-05-20
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase.
J.Med.Chem., 59, 2016
4LIU
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BU of 4liu by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli.
分子名称: 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Brissett, N.C, Doherty, A.J, Fox, G.C.
登録日2013-07-03
公開日2014-05-14
最終更新日2014-07-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4LIT
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BU of 4lit by Molmil
Structure of YcfD a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and 2-oxoglutarate.
分子名称: 2-OXOGLUTARIC ACID, 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION
著者Brissett, N.C, Doherty, A.J.
登録日2013-07-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4LIV
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BU of 4liv by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and succinic acid.
分子名称: 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION, SUCCINIC ACID
著者Brissett, N.C, Doherty, A.J.
登録日2013-07-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
2V95
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BU of 2v95 by Molmil
Structure of Corticosteroid-Binding Globulin in complex with Cortisol
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, CORTICOSTEROID-BINDING GLOBULIN
著者Klieber, M.A, Muller, Y.A.
登録日2007-08-21
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Corticosteroid-Binding Globulin: Structural Basis for Steroid Transport and Proteinase-Triggered Release
J.Biol.Chem., 282, 2007
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
分子名称: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
著者Han, S.
登録日2011-09-16
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3T5U
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BU of 3t5u by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
登録日2011-07-28
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
3T5Z
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BU of 3t5z by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-methoxybenzenesulfonamide, ...
著者Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
登録日2011-07-28
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011

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