4Y8Z
 
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4YES
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4YNE
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | 分子名称: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | | 著者 | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | 登録日 | 2015-03-09 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.0229 Å) | | 主引用文献 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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2C4J
 | | Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate | | 分子名称: | GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | | 著者 | Tars, K, Andersson, M, Ivarsson, Y, Olin, B, Mannervik, B. | | 登録日 | 2005-10-20 | | 公開日 | 2005-10-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution.
Proc.Natl.Acad.Sci.USA, 103, 2006
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4YMJ
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | 分子名称: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | | 著者 | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | 登録日 | 2015-03-06 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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2YPS
 | | Crystal structure of the PX domain of human sorting nexin 3 | | 分子名称: | SORTING NEXIN-3 | | 著者 | Canning, P, Kiyani, W, Froese, D.S, Krojer, T, Strain-Damerell, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Yue, W.W. | | 登録日 | 2012-10-31 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of the Px Domain of Human Sorting Nexin 3
To be Published
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4WEK
 | | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam | | 分子名称: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | | 著者 | Ferguson, A.D. | | 登録日 | 2014-09-10 | | 公開日 | 2015-04-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
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4Y8Y
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2JI3
 | | X-ray structure of the iron-peroxide intermediate of superoxide reductase (E114A mutant) from Desulfoarculus baarsii | | 分子名称: | CALCIUM ION, Desulfoferrodoxin, FE (III) ION, ... | | 著者 | Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D. | | 登録日 | 2007-02-24 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
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1VZG
 | | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction | | 分子名称: | CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ... | | 著者 | Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D. | | 登録日 | 2004-05-19 | | 公開日 | 2004-08-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction
Structure, 12, 2004
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4YKN
 | | Pi3K alpha lipid kinase with Active Site Inhibitor | | 分子名称: | 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein | | 著者 | Elkins, P.A. | | 登録日 | 2015-03-04 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
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2YGH
 | | SAM-I riboswitch with a G2nA mutation in the Kink turn in complex with S-adenosylmethionine | | 分子名称: | POTASSIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH, ... | | 著者 | Schroeder, K, Daldrop, P, Lilley, D. | | 登録日 | 2011-04-17 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | RNA Tertiary Interactions in a Riboswitch Stabilize the Structure of a Kink Turn.
Structure, 19, 2011
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1VZH
 | | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction | | 分子名称: | CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ... | | 著者 | Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D. | | 登録日 | 2004-05-19 | | 公開日 | 2004-08-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
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4WEL
 | | Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176 | | 分子名称: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | | 著者 | Ferguson, A.D. | | 登録日 | 2014-09-10 | | 公開日 | 2015-04-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
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1YS3
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8RHJ
 | | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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8RHL
 | | Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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8RHK
 | | Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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2JI1
 | | X-ray structure of wild-type superoxide reductase from Desulfoarculus baarsii | | 分子名称: | CALCIUM ION, Desulfoferrodoxin, FE (II) ION, ... | | 著者 | Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D. | | 登録日 | 2007-02-24 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
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2JI2
 | | X-ray structure of E114A mutant of superoxide reductase from Desulfoarculus baarsii in the native, reduced form | | 分子名称: | CALCIUM ION, Desulfoferrodoxin, FE (II) ION, ... | | 著者 | Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D. | | 登録日 | 2007-02-24 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
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1YSR
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4YO6
 | | Irak4-inhibitor co-structure | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 著者 | Fischmann, T.O. | | 登録日 | 2015-03-11 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
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4YP8
 | | Irak4-inhibitor co-structure | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 著者 | Fischmann, T.O. | | 登録日 | 2015-03-12 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.641 Å) | | 主引用文献 | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
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4YND
 | | The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 | | 分子名称: | N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | 著者 | Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N. | | 登録日 | 2015-03-09 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
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1GKZ
 | | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Machius, M, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Chuang, D.T. | | 登録日 | 2001-08-22 | | 公開日 | 2001-10-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase.
Proc.Natl.Acad.Sci.USA, 98, 2001
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