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1HUA
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BU of 1hua by Molmil
THE SOLUTION CONFORMATION OF HYALURONAN: A COMBINED NMR AND MOLECULAR DYNAMICS STUDY
分子名称: beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2,6-anhydro-L-gulonic acid
著者Holmbeck, S.M.A, Petillo, P.A, Lerner, L.E.
登録日1994-01-31
公開日1994-11-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The solution conformation of hyaluronan: a combined NMR and molecular dynamics study.
Biochemistry, 33, 1994
3QRI
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BU of 3qri by Molmil
The crystal structure of human abl1 kinase domain in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRK
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BU of 3qrk by Molmil
The crystal structure of human abl1 kinase domain in complex with DP-987
分子名称: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRJ
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BU of 3qrj by Molmil
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
6CR0
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BU of 6cr0 by Molmil
1.55 A resolution structure of (S)-6-hydroxynicotine oxidase from Shinella HZN7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-6-hydroxynicotine oxidase, ACETATE ION, ...
著者Deay III, D, Lovell, S, Battaile, K.P, Petillo, P, Richter, M.
登録日2018-03-16
公開日2018-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Improving the kinetic parameters of nicotine oxidizing enzymes by homologous structure comparison and rational design
Arch.Biochem.Biophys., 2022
6DE6
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BU of 6de6 by Molmil
2.1 A resolution structure of histamine dehydrogenase from Rhizobium sp. 4-9
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ...
著者Goyal, P, Lovell, S, Richter, M.
登録日2018-05-11
公開日2019-05-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Rhizobium sp. 4-9 histamine dehydrogenase and analysis of the electron transfer pathway to an abiological electron acceptor.
Arch.Biochem.Biophys., 2023
3NNW
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BU of 3nnw by Molmil
Crystal structure of P38 alpha in complex with DP802
分子名称: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNX
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BU of 3nnx by Molmil
Crystal structure of phosphorylated P38 alpha in complex with DP802
分子名称: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNV
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BU of 3nnv by Molmil
Crystal structure of P38 alpha in complex with DP437
分子名称: 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
分子名称: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010

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件を2024-08-07に公開中

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