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2ANW
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BU of 2anw by Molmil
Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors
分子名称: BENZAMIDINE, plasma kallikrein, light chain
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
2ANY
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BU of 2any by Molmil
Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors
分子名称: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
5F6Z
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BU of 5f6z by Molmil
Sandercyanin Fluorescent Protein purified from Sander vitreus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
著者Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R.
登録日2015-12-07
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
6BKW
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BU of 6bkw by Molmil
BTK complex with compound 12
分子名称: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-09
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BKE
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BU of 6bke by Molmil
BTK complex with compound 10
分子名称: N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X.
登録日2017-11-08
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BIK
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BU of 6bik by Molmil
BTK complex with compound 7
分子名称: 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-02
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BKH
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BU of 6bkh by Molmil
BTK complex with compound 11
分子名称: N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-08
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BLN
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BU of 6bln by Molmil
BTK complex with compound 13
分子名称: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-10
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
分子名称: Tyrosine-protein kinase BTK
著者Yu, C.L, Hymowitz, S.G.
登録日2010-09-27
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
2BMO
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BU of 2bmo by Molmil
The Crystal Structure of Nitrobenzene Dioxygenase
分子名称: 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ...
著者Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S.
登録日2005-03-15
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
2BMQ
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BU of 2bmq by Molmil
The Crystal Structure of Nitrobenzene Dioxygenase in complex with nitrobenzene
分子名称: 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ...
著者Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S.
登録日2005-03-15
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
2BMR
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BU of 2bmr by Molmil
The Crystal Structure of Nitrobenzene Dioxygenase in complex with 3- nitrotoluene
分子名称: 1,2-ETHANEDIOL, 3-NITROTOLUENE, ETHANOL, ...
著者Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S.
登録日2005-03-15
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
6EP9
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BU of 6ep9 by Molmil
Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
分子名称: N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2017-10-11
公開日2018-08-22
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
2GBW
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BU of 2gbw by Molmil
Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1
分子名称: Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ...
著者Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S.
登録日2006-03-12
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1.
Bmc Struct.Biol., 7, 2007
2GBX
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BU of 2gbx by Molmil
Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 Bound to Biphenyl
分子名称: BIPHENYL, Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, ...
著者Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S.
登録日2006-03-12
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1.
Bmc Struct.Biol., 7, 2007
5F1E
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BU of 5f1e by Molmil
Apo protein of Sandercyanin
分子名称: Sandercyanin Fluorescent Protein
著者Ghosh, S, Ramaswamy, S.
登録日2015-11-30
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
5EZ2
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BU of 5ez2 by Molmil
Sandercyanin Fluorescent Protein (SFP)
分子名称: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
著者Ghosh, S, Ramaswamy, S.
登録日2015-11-26
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
2I7F
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BU of 2i7f by Molmil
Sphingomonas yanoikuyae B1 ferredoxin
分子名称: CITRIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of dioxygenase, ...
著者Ramaswamy, S, Brown, E.N.
登録日2006-08-30
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1.
Bmc Struct.Biol., 7, 2007
6BQA
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BU of 6bqa by Molmil
BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
分子名称: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Bromodomain-containing protein 9
著者Murray, J.M, Tang, Y.
登録日2017-11-27
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.031 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BQD
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BU of 6bqd by Molmil
TAF1-BD2 bromodomain in complex with (E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
分子名称: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
著者Murray, J.M, Tang, Y.
登録日2017-11-27
公開日2019-02-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.136 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019

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