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3GCV
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BU of 3gcv by Molmil
Human P38 MAP Kinase in Complex with RL62
分子名称: 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3S3I
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BU of 3s3i by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
分子名称: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M.
登録日2011-05-18
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3GAQ
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BU of 3gaq by Molmil
Female-specific Histamine-Binding Protein, D24R Mutant
分子名称: Female-specific histamine-binding protein 2
著者Dennis, C.A, Homans, S.W.
登録日2009-02-18
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Entropic contributions to binding in a 'Hydrophilic' Ligand-Protein Interaction
To be Published
3GC7
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BU of 3gc7 by Molmil
The structure of p38alpha in complex with a dihydroquinazolinone
分子名称: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 14
著者Scapin, G, Patel, S.B.
登録日2009-02-21
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
3GCS
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BU of 3gcs by Molmil
Human P38 MAP kinase in complex with Sorafenib
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCU
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BU of 3gcu by Molmil
Human P38 MAP kinase in complex with RL48
分子名称: 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCQ
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BU of 3gcq by Molmil
Human P38 MAP kinase in complex with RL45
分子名称: 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3TXB
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BU of 3txb by Molmil
HEWL co-crystallization with cisplatin in aqueous media with glycerol as the cryoprotectant
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
登録日2011-09-23
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3TXJ
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BU of 3txj by Molmil
HEWL co-crystallization with NAG with silicone oil as the cryoprotectant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
登録日2011-09-23
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3GU5
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BU of 3gu5 by Molmil
Crystal structure of DAPKQ23V-AMPPNP-Mg2+
分子名称: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enzyme activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
分子名称: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
著者Witkowski, W.A, Hardy, J.A.
登録日2009-04-13
公開日2009-06-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
3TXI
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BU of 3txi by Molmil
HEWL co-crystallization with carboplatin in DMSO media with paratone as the cryoprotectant
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
登録日2011-09-23
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3GOA
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BU of 3goa by Molmil
Crystal structure of the Salmonella typhimurium FadA 3-ketoacyl-CoA thiolase
分子名称: 3-ketoacyl-CoA thiolase, CALCIUM ION, CHLORIDE ION, ...
著者Anderson, S.M, Skarina, T, Onopriyenko, O, Wawrzak, Z, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-03-18
公開日2009-03-31
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献

3E93
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BU of 3e93 by Molmil
Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor
分子名称: 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide, GLYCEROL, Mitogen-activated protein kinase 14
著者Somers, D.O, Patel, S.
登録日2008-08-21
公開日2008-09-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
3E92
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BU of 3e92 by Molmil
Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
著者Somers, D.O, Patel, S.
登録日2008-08-21
公開日2008-09-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
3GRI
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BU of 3gri by Molmil
The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
分子名称: CALCIUM ION, CHLORIDE ION, Dihydroorotase, ...
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-03-25
公開日2009-05-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
To be Published
3H2Y
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BU of 3h2y by Molmil
Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound
分子名称: 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, GTPase family protein
著者Brunzelle, J.S, Anderson, S.M, Xu, X, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-04-15
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of YqeH GTPase from Bacillus anthracis with dGDP Bound
To be Published
3FMK
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BU of 3fmk by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3TXD
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BU of 3txd by Molmil
HEWL co-crystallization with carboplatin in aqueous media with glycerol as the cryoprotectant
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
登録日2011-09-23
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3FKL
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BU of 3fkl by Molmil
P38 kinase crystal structure in complex with RO9552
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
著者Kuglstatter, A, Ghate, M.
登録日2008-12-17
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FKO
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BU of 3fko by Molmil
P38 kinase crystal structure in complex with RO3668
分子名称: 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-17
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FC1
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BU of 3fc1 by Molmil
Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor
分子名称: 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14
著者Jacobs, M.D, Bellon, S.
登録日2008-11-20
公開日2008-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase.
J.Med.Chem., 48, 2005
3FLW
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BU of 3flw by Molmil
P38 kinase crystal structure in complex with pamapimod
分子名称: 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FMJ
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BU of 3fmj by Molmil
P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine
分子名称: 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FF1
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BU of 3ff1 by Molmil
Structure of Glucose 6-phosphate Isomerase from Staphylococcus aureus
分子名称: GLUCOSE-6-PHOSPHATE, Glucose-6-phosphate isomerase, SODIUM ION
著者Anderson, S.M, Brunzelle, J.S, Onopriyenko, O, Peterson, S, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-12-01
公開日2009-02-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of Glucose 6-phosphate Isomerase from Staphylococcus aureus
TO BE PUBLISHED

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件を2024-07-17に公開中

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