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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
Descriptor: BENZAMIDINE, plasma kallikrein, light chain
Authors: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.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
Authors: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.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R.
Deposit date:2015-12-07
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.248 Å)
Cite: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
Descriptor: 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, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-09
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite: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
Descriptor: 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
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X.
Deposit date:2017-11-08
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 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, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-02
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite: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
Descriptor: 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
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-08
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite: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
Descriptor: 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, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-10
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: Tyrosine-protein kinase BTK
Authors:Yu, C.L, Hymowitz, S.G.
Deposit date:2010-09-27
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ...
Authors:Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S.
Deposit date:2005-03-15
Release date:2005-05-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ...
Authors:Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S.
Deposit date:2005-03-15
Release date:2005-05-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-NITROTOLUENE, ETHANOL, ...
Authors:Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S.
Deposit date:2005-03-15
Release date:2005-05-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
2GBW
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BU of 2gbw by Molmil
Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1
Descriptor: Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ...
Authors:Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S.
Deposit date:2006-03-12
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: BIPHENYL, Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, ...
Authors:Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S.
Deposit date:2006-03-12
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1.
Bmc Struct.Biol., 7, 2007
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
Descriptor: 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
Authors:Kuglstatter, A, Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
2I7F
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BU of 2i7f by Molmil
Sphingomonas yanoikuyae B1 ferredoxin
Descriptor: CITRIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of dioxygenase, ...
Authors:Ramaswamy, S, Brown, E.N.
Deposit date:2006-08-30
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Sandercyanin Fluorescent Protein
Authors:Ghosh, S, Ramaswamy, S.
Deposit date:2015-11-30
Release date:2016-09-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Ghosh, S, Ramaswamy, S.
Deposit date:2015-11-26
Release date:2016-09-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
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
Descriptor: 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
Authors:Murray, J.M, Tang, Y.
Deposit date:2017-11-27
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.031 Å)
Cite: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
Descriptor: 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
Authors:Murray, J.M, Tang, Y.
Deposit date:2017-11-27
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.136 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019

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