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2QG2
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HSP90 complexed with A917985
分子名称: 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2007-06-28
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2QHX
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Structure of Pteridine Reductase from Leishmania major complexed with a ligand
分子名称: IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N.
登録日2007-07-03
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
2OLY
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BU of 2oly by Molmil
Structure of human insulin in presence of urea at pH 7.0
分子名称: CHLORIDE ION, GLYCEROL, Insulin A chain, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-20
公開日2007-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
2OM9
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Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma
分子名称: (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Ambrosio, A.L.B, Garratt, R.C.
登録日2007-01-21
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ajulemic Acid, a Synthetic Nonpsychoactive Cannabinoid Acid, Bound to the Ligand Binding Domain of the Human Peroxisome Proliferator-activated Receptor gamma
J.Biol.Chem., 282, 2007
2OVB
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BU of 2ovb by Molmil
Crystal Structure of StaL-sulfate complex
分子名称: SULFATE ION, StaL
著者Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2007-02-13
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
J.Biol.Chem., 282, 2007
2OOZ
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BU of 2ooz by Molmil
Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group)
分子名称: 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Crichlow, G.V, Al-Abed, Y, Lolis, E.
登録日2007-01-26
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
2OM1
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Structure of human insulin in presence of thiocyanate at pH 6.5
分子名称: GLYCEROL, Insulin A chain, Insulin B chain, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-20
公開日2007-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
2OO0
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A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane
分子名称: 3-AMINOOXY-1-AMINOPROPANE, ACETATE ION, Ornithine decarboxylase, ...
著者Dufe, V.T, Ingner, D, Khomutov, A.R, Heby, O, Persson, L, Al-Karadaghi, S.
登録日2007-01-25
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Biochem.J., 405, 2007
2QPY
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BU of 2qpy by Molmil
AR LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ...
著者Estebanez-Perpina, E, Fletterick, R.
登録日2007-07-25
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QYL
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BU of 2qyl by Molmil
Crystal structure of PDE4B2B in complex with inhibitor NPV
分子名称: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, Phosphodiesterase 4B, ...
著者Ke, H.
登録日2007-08-15
公開日2008-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
2QG0
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HSP90 complexed with A943037
分子名称: Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
著者Park, C.H.
登録日2007-06-28
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2QLL
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BU of 2qll by Molmil
Human liver glycogen phosphorylase- GL complex
分子名称: Glycogen phosphorylase, liver form, PYRIDOXAL-5'-PHOSPHATE, ...
著者Pautsch, A, Streicher, R, Wissdorf, O, Stadler, N.
登録日2007-07-13
公開日2008-02-19
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Molecular recognition of the protein phosphatase 1 glycogen targeting subunit by glycogen phosphorylase.
J.Biol.Chem., 283, 2008
2NO7
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C4S dCK variant of dCK in complex with L-dC+ADP
分子名称: 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2NAW
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BU of 2naw by Molmil
NMR solution structure of Exendin-4/conotoxin chimera (Ex-4[1-27]/pl14a)
分子名称: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
著者Schroeder, C.I, Swedberg, J.E, Craik, D.J.
登録日2016-01-12
公開日2016-05-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro.
J.Biol.Chem., 291, 2016
2NO0
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C4S dCK variant of dCK in complex with gemcitabine+ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2NQ7
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Crystal structure of type 1 human methionine aminopeptidase in complex with 3-(2,2-Dimethylpropionylamino)pyridine-2-carboxylic acid thiazole-2-ylamide
分子名称: 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE, COBALT (II) ION, GLYCEROL, ...
著者Addlagatta, A, Matthews, B.W.
登録日2006-10-30
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2NQD
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BU of 2nqd by Molmil
Crystal structure of cysteine protease inhibitor, chagasin, in complex with human cathepsin L
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin L, ...
著者Redzynia, I, Bujacz, G, Ljunggren, A, Jaskolski, M, Abrahamson, M.
登録日2006-10-31
公開日2007-07-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the parasite protease inhibitor chagasin in complex with a host target cysteine protease
J.Mol.Biol., 371, 2007
2NQ6
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Crystal structure of human methionine aminopeptidase type 1 in complex with 3-tert-Butoxycarbonylaminopyridine-2-carboxylic acid thiazole-2-ylamide
分子名称: CALCIUM ION, COBALT (II) ION, GLYCEROL, ...
著者Addlagatta, A, Matthews, B.W.
登録日2006-10-30
公開日2006-11-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2NO1
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C4S dCK variant of dCK in complex with D-dC+ADP
分子名称: 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2MTA
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BU of 2mta by Molmil
CRYSTAL STRUCTURE OF A TERNARY ELECTRON TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE, AMICYANIN AND A C-TYPE CYTOCHROME
分子名称: AMICYANIN, COPPER (II) ION, CYTOCHROME C551I, ...
著者Chen, L, Mathews, F.S.
登録日1993-10-26
公開日1994-01-31
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of an electron transfer complex: methylamine dehydrogenase, amicyanin, and cytochrome c551i.
Science, 264, 1994
2MPE
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Solution NMR structure for B. pseudomallei BPSL1050
分子名称: BPSL1050
著者Gaudesi, D, Musco, G, Quilici, G.
登録日2014-05-15
公開日2015-03-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-Based Design of a B Cell Antigen from B. pseudomallei.
Acs Chem.Biol., 10, 2015
2ND7
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Structure of DK17 in POPC:POPG:Cholesterol:GM1 LUVS
分子名称: Cell penetrating peptide
著者Bera, S, Bhunia, A.
登録日2016-05-11
公開日2017-03-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Elucidation of the Cell-Penetrating Penetratin Peptide in Model Membranes at the Atomic Level: Probing Hydrophobic Interactions in the Blood-Brain Barrier
Biochemistry, 55, 2016
2QYM
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crystal structure of unliganded PDE4C2
分子名称: MAGNESIUM ION, Phosphodiesterase 4C, ZINC ION
著者Ke, H.
登録日2007-08-15
公開日2008-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
2QU6
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Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor
分子名称: 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-08-03
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
2N7F
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NMR solution structure of muO-conotoxin MfVIA
分子名称: muO-conotoxin MfVIA
著者Schroeder, C.I, Mobli, M.
登録日2015-09-09
公開日2016-04-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Development of a mu O-Conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Sodium Channel NaV1.8.
J.Biol.Chem., 291, 2016

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