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1W69
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Crystal Structure of Mouse Ribonucleotide Reductase Subunit R2 under Reducing Conditions. A Fully Occupied Dinuclear Iron Cluster and Bound Acetate.
分子名称: ACETIC ACID, FE (II) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 CHAIN
著者Karlsen, S, Strand, K.R, Kolberg, M, Rohr, A.K, Gorbitz, C.H, Andersson, K.K.
登録日2004-08-16
公開日2004-08-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structural Studies of Changes in the Native Dinuclear Iron Center of Ribonucleotide Reductase Protein R2 from Mouse
J.Biol.Chem., 279, 2004
2FSO
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BU of 2fso by Molmil
mitogen activated protein kinase p38alpha (D176A) activating mutant
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Diskin, R, Livnah, O.
登録日2006-01-23
公開日2006-12-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation
J.Mol.Biol., 365, 2007
3FMM
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BU of 3fmm by Molmil
P38 kinase crystal structure in complex with RO6226
分子名称: 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-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P38 kinase crystal structure in complex with RO6226
To be Published
1W5V
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BU of 1w5v by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-12-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
1W5Y
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BU of 1w5y by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
3FLN
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BU of 3fln by Molmil
P38 kinase crystal structure in complex with R1487
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, 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 (1.9 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
7AU7
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BU of 7au7 by Molmil
Crystal structure of Nod Factor Perception ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Serine/threonine receptor-like kinase NFP, ...
著者Gysel, K, Blaise, M, Andersen, K.R.
登録日2020-11-02
公開日2021-11-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Kinetic proofreading of lipochitooligosaccharides determines signal activation of symbiotic plant receptors.
Proc.Natl.Acad.Sci.USA, 118, 2021
3F5G
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BU of 3f5g by Molmil
Crystal structure of death associated protein kinase in complex with ADP and Mg2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
著者McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
登録日2008-11-03
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
分子名称: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M, Dunten, P.
登録日2008-12-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
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
3FMN
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BU of 3fmn by Molmil
P38 kinase crystal structure in complex with RO2530
分子名称: 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-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 (1.9 Å)
主引用文献P38 kinase crystal structure in complex with RO2530
To be Published
2FSL
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BU of 2fsl by Molmil
mitogen activated protein kinase p38alpha (D176A+F327S) activating mutant form-A
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Diskin, R, Livnah, O.
登録日2006-01-23
公開日2006-12-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation
J.Mol.Biol., 365, 2007
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
3F5U
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BU of 3f5u by Molmil
Crystal structure of the death associated protein kinase in complex with AMPPNP and Mg2+
分子名称: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
登録日2008-11-04
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
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
1XTU
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BU of 1xtu by Molmil
Sulfolobus solfataricus uracil phosphoribosyltransferase in complex with uridine 5'-monophosphate (UMP) and cytidine 5'-triphosphate (CTP)
分子名称: CYTIDINE-5'-TRIPHOSPHATE, Probable uracil phosphoribosyltransferase, URIDINE-5'-MONOPHOSPHATE
著者Arent, S, Harris, P, Jensen, K.F, Larsen, S.
登録日2004-10-24
公開日2005-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,)
Biochemistry, 44, 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
2GZ3
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BU of 2gz3 by Molmil
Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP and aspartate-semialdehyde
分子名称: (2R)-2-AMINO-4-OXOBUTANOIC ACID, Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
登録日2006-05-10
公開日2006-08-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
3FF1
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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2024-10-30
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
1XS1
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BU of 1xs1 by Molmil
dCTP deaminase from Escherichia coli in complex with dUTP
分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION
著者Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M.
登録日2004-10-18
公開日2004-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes
J.Biol.Chem., 280, 2005
3FL4
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BU of 3fl4 by Molmil
P38 kinase crystal structure in complex with RO5634
分子名称: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-18
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FML
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BU of 3fml by Molmil
P38 kinase crystal structure in complex with RO6224
分子名称: 6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-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 (2.1 Å)
主引用文献P38 kinase crystal structure in complex with RO6224
To be Published
3FLZ
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P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[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2023-09-06
実験手法X-RAY DIFFRACTION (2.23 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

238582

件を2025-07-09に公開中

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