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2LMJ
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Itk-sh3
分子名称: Tyrosine-protein kinase ITK/TSK
著者Kristiansen, P, Bie Andersen, T, Huszenicza, Z, Andreotti, A.H, Spurkland, A.
登録日2011-12-05
公開日2012-12-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The SH3 domains of the Tec family kinase Itk and the Src family kinase Lck compete for adjacent sites on T-cell specific adapter protein
To be Published
2HW7
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BU of 2hw7 by Molmil
Crystal Structure of Mnk2-D228G in complex with Staurosporine
分子名称: MAP kinase-interacting serine/threonine-protein kinase 2, STAUROSPORINE, ZINC ION
著者Jauch, R, Wahl, M.C.
登録日2006-08-01
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Mitogen-activated protein kinases interacting kinases are autoinhibited by a reprogrammed activation segment.
Embo J., 25, 2006
2HSY
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BU of 2hsy by Molmil
Solution structure of Thioredoxin 2 from Saccharomyces cerevisiae
分子名称: Thioredoxin II
著者Amorim, G.C, Valente, A.P, Almeida, F.C.L.
登録日2006-07-24
公開日2007-03-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR solution structure of the reduced form of thioredoxin 2 from Saccharomyces cerevisiae
J.Biomol.Nmr, 38, 2007
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
2HW6
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BU of 2hw6 by Molmil
Crystal structure of Mnk1 catalytic domain
分子名称: MAP kinase-interacting serine/threonine-protein kinase 1, SULFATE ION
著者Jauch, R, Wahl, M.C.
登録日2006-08-01
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mitogen-activated protein kinases interacting kinases are autoinhibited by a reprogrammed activation segment.
Embo J., 25, 2006
2L03
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BU of 2l03 by Molmil
Spatial structure of water-soluble Lynx1
分子名称: Ly-6/neurotoxin-like protein 1
著者Mineev, K.S, Shenkarev, Z.O, Arseniev, A.S.
登録日2010-06-30
公開日2011-01-19
最終更新日2014-10-01
実験手法SOLUTION NMR
主引用文献NMR structure and action on nicotinic acetylcholine receptors of water-soluble domain of human LYNX1
J.Biol.Chem., 286, 2011
2HTW
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BU of 2htw by Molmil
N4 neuraminidase in complex with DANA
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Neuraminidase
著者Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
登録日2006-07-26
公開日2006-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
2HLV
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Bovine Odorant Binding Protein deswapped triple mutant
分子名称: 3,6-BIS(METHYLENE)DECANOIC ACID, GLYCEROL, Odorant-binding protein
著者Spinelli, S, Tegoni, M, Cambillau, C.
登録日2006-07-10
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deswapping bovine odorant binding protein.
Biochim.Biophys.Acta, 1784, 2008
6YLL
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BU of 6yll by Molmil
Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors
分子名称: Mitogen-activated protein kinase 6, ~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
著者Graedler, U.
登録日2020-04-07
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
2HVZ
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BU of 2hvz by Molmil
Solution structure of the RRM domain of SR rich factor 9G8
分子名称: Splicing factor, arginine/serine-rich 7
著者Tintaru, A.M, Hautbergue, G.M, Golovanov, A.P, Lian, L.Y, Wilson, S.A.
登録日2006-07-31
公開日2006-11-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Molecular basis of RNA recognition and TAP binding by the SR proteins SRp20 and 9G8.
Embo J., 25, 2006
2HV4
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BU of 2hv4 by Molmil
NMR solution structure refinement of yeast iso-1-ferrocytochrome c
分子名称: Cytochrome c iso-1, HEME C
著者Assfalg, M, Bertini, I, Del Conte, R, Turano, P.
登録日2006-07-27
公開日2006-09-26
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Cytochrome c and organic molecules: solution structure of the p-aminophenol adduct.
Biochemistry, 46, 2007
6YNB
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BU of 6ynb by Molmil
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with short-chain Fasudil-derivative N-(2-aminoethyl)isoquinoline-5-sulfonamide (soaked)
分子名称: DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2020-04-13
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
2L59
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BU of 2l59 by Molmil
Solution Structures of Oxidized and Reduced Thioredoxin C from M. tb
分子名称: Thioredoxin
著者Olson, A.L, Cai, S, Sem, D.S.
登録日2010-10-28
公開日2011-10-26
最終更新日2013-04-03
実験手法SOLUTION NMR
主引用文献Solution structures of Mycobacterium tuberculosis thioredoxin C and models of intact thioredoxin system suggest new approaches to inhibitor and drug design.
Proteins, 81, 2013
2L5P
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Solution NMR structure of protein lipocalin 12 from rat epididymis
分子名称: Lipocalin 12
著者Peng, Y, Lin, D.
登録日2010-11-03
公開日2011-04-13
最終更新日2011-09-14
実験手法SOLUTION NMR
主引用文献Solution structure of the protein lipocalin 12 from rat epididymis
Proteins, 79, 2011
6YPJ
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BU of 6ypj by Molmil
Crystal Structure of CK2alpha with Compound 1 bound
分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
2L8M
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BU of 2l8m by Molmil
Reduced and CO-bound cytochrome P450cam (CYP101A1)
分子名称: CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ...
著者Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J.
登録日2011-01-19
公開日2011-02-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).
Biochemistry, 50, 2011
2HSP
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BU of 2hsp by Molmil
SOLUTION STRUCTURE OF THE SH3 DOMAIN OF PHOSPHOLIPASE CGAMMA
分子名称: PHOSPHOLIPASE C-GAMMA (SH3 DOMAIN)
著者Kohda, D, Hatanaka, H, Odaka, M, Inagaki, F.
登録日1994-06-13
公開日1994-08-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the SH3 domain of phospholipase C-gamma.
Cell(Cambridge,Mass.), 72, 1993
2LHM
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BU of 2lhm by Molmil
CRYSTAL STRUCTURES OF THE APO-AND HOLOMUTANT HUMAN LYSOZYMES WITH AN INTRODUCED CA2+ BINDING SITE
分子名称: HUMAN LYSOZYME
著者Inaka, K, Matsushima, M.
登録日1991-10-02
公開日1992-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the apo- and holomutant human lysozymes with an introduced Ca2+ binding site.
J.Biol.Chem., 266, 1991
6YG0
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BU of 6yg0 by Molmil
Crystal structure of S287D,T291D MKK7 (MAP2K7), apo form
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6YG6
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Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor TL10-105
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
著者Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
2HOT
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BU of 2hot by Molmil
Phage selected homeodomain bound to modified DNA
分子名称: 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE, 5'-D(*AP*TP*CP*CP*GP*GP*GP*GP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*CP*CP*CP*CP*GP*GP*A)-3', ...
著者Feldman, M.E, Simon, M.D, Shokat, K.M.
登録日2006-07-16
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure and properties of a re-engineered homeodomain protein-DNA interface.
Acs Chem.Biol., 1, 2006
6YG5
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Crystal structure of MKK7 (MAP2K7) in complex with ASC69
分子名称: Dual specificity mitogen-activated protein kinase kinase 7, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
2HXL
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BU of 2hxl by Molmil
crystal structure of Chek1 in complex with inhibitor 1
分子名称: 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE, Serine/threonine-protein kinase Chk1
著者Yan, Y.
登録日2006-08-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HXK
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Crystal structure of S-nitroso thioredoxin
分子名称: ETHANOL, Thioredoxin
著者Weichsel, A, Montfort, W.R.
登録日2006-08-03
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Buried s-nitrosocysteine revealed in crystal structures of human thioredoxin.
Biochemistry, 46, 2007
6YNR
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Crystal structure of the cAMP-dependent protein kinase A in complex with 1,7-Naphthyridin-8-amine (soaked) and PKI (5-24)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, ...
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-04-14
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021

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