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3KDU
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Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3ALC
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BU of 3alc by Molmil
ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR DNA-BINDING DOMAIN FROM ASPERGILLUS NIDULANS
分子名称: PROTEIN (ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR), ZINC ION
著者Cerdan, R, Cahuzac, B, Felenbok, B, Guittet, E.
登録日1999-03-11
公開日2000-05-15
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of AlcR (1-60) provides insight in the unusual DNA binding properties of this zinc binuclear cluster protein.
J.Mol.Biol., 295, 2000
3RSV
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BU of 3rsv by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide
分子名称: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTH
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BU of 3rth by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
分子名称: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
7OQD
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BU of 7oqd by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
分子名称: 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2021-06-03
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
1H2I
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BU of 1h2i by Molmil
Human Rad52 protein, N-terminal domain
分子名称: DNA REPAIR PROTEIN RAD52 HOMOLOG
著者Singleton, M.R, Wentzell, L.M, Liu, Y, West, S.C, Wigley, D.B.
登録日2002-08-09
公開日2002-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the Single-Strand Annealing Domain of Human Rad52 Protein
Proc.Natl.Acad.Sci.USA, 99, 2002
7OUD
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BU of 7oud by Molmil
Crystal structure of a ternary complex of the flavoprotein monooxygenase GrhO5 with FAD and collinone
分子名称: Collinone, FAD-dependent monooxygenase GrhO5, FLAVIN-ADENINE DINUCLEOTIDE
著者Saleem-Batcha, R, Toplak, M, Teufel, R.
登録日2021-06-11
公開日2021-11-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
3ACY
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BU of 3acy by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702
分子名称: (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
8F7H
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BU of 8f7h by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P212121
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
5VZA
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BU of 5vza by Molmil
Pre-catalytic ternary complex of human Polymerase Mu (G433S) mutant with incoming nonhydrolyzable UMPNPP
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2017-05-27
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
8F7G
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BU of 8f7g by Molmil
The condensation domain of surfactin A synthetase C in space group P212121
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7I
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BU of 8f7i by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P43212
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7F
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BU of 8f7f by Molmil
The condensation domain of surfactin A synthetase C in space group P43212
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
1GPT
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BU of 1gpt by Molmil
SOLUTION STRUCTURE OF GAMMA 1-H AND GAMMA 1-P THIONINS FROM BARLEY AND WHEAT ENDOSPERM DETERMINED BY 1H-NMR: A STRUCTURAL MOTIF COMMON TO TOXIC ARTHROPOD PROTEINS
分子名称: GAMMA-1-H THIONIN
著者Bruix, M, Jimenez, M.A, Santoro, J, Gonzalez, C, Colilla, F.J, Mendez, E, Rico, M.
登録日1992-07-29
公開日1993-10-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of gamma 1-H and gamma 1-P thionins from barley and wheat endosperm determined by 1H-NMR: a structural motif common to toxic arthropod proteins.
Biochemistry, 32, 1993
7P00
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BU of 7p00 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
登録日2021-06-29
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
7P02
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BU of 7p02 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gs complex
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
登録日2021-06-29
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
3GD3
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BU of 3gd3 by Molmil
Crystal structure of a naturally folded murine apoptosis inducing factor
分子名称: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者Sevrioukova, I.F.
登録日2009-02-23
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Redox-linked conformational dynamics in apoptosis-inducing factor
J.Mol.Biol., 390, 2009
5JI4
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BU of 5ji4 by Molmil
Solution structure of the de novo mini protein gEEHE_02
分子名称: W37
著者Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T.
登録日2016-04-21
公開日2016-09-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
1H26
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BU of 1h26 by Molmil
CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53
分子名称: CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
5K55
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BU of 5k55 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
5YTE
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BU of 5yte by Molmil
Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
3ZLS
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BU of 3zls by Molmil
Crystal structure of MEK1 in complex with fragment 6
分子名称: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3DRM
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BU of 3drm by Molmil
2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin
分子名称: Alpha-1-antitrypsin
著者Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E.
登録日2008-07-11
公開日2009-03-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
2OYE
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Indomethacin-(R)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
分子名称: 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Harman, C.A, Garavito, R.M.
登録日2007-02-21
公開日2007-07-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007

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