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3FC6
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hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875
分子名称: Nr1h3 protein, RETINOIC ACID, Retinoic acid receptor RXR-alpha, ...
著者Washburn, D.G, Hoang, T.H, Campobasso, N, Smallwood, A, Parks, D.J, Webb, C.L, Frank, K, Nord, M, Duraiswami, C, Evans, C, Jaye, M, Thompson, S.K.
登録日2008-11-21
公開日2009-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.063 Å)
主引用文献Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.
Bioorg.Med.Chem.Lett., 19, 2009
3FF7
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BU of 3ff7 by Molmil
Structure of NK cell receptor KLRG1 bound to E-cadherin
分子名称: ACETIC ACID, Epithelial cadherin, Killer cell lectin-like receptor subfamily G member 1
著者Li, Y, Mariuzza, R.A.
登録日2008-12-02
公開日2009-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
3FDN
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BU of 3fdn by Molmil
Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity
分子名称: N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide, Serine/threonine-protein kinase 6
著者Leou, J.S, Wu, J.S, Coumar, M.S, Shukla, P, Hsieh, H.P, Wu, S.Y.
登録日2008-11-26
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity
J.Med.Chem., 52, 2009
3FGS
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Crystal structure of G65R/K206E double mutant of the N-lobe human transferrin
分子名称: CARBONATE ION, FE (III) ION, Serotransferrin
著者Halbrooks, P.J, Mason, A.B, Everse, S.J.
登録日2008-12-08
公開日2009-05-19
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Consequences of the Substitution of Glycine 65 with Arginine in the N-Lobe of Human Transferrin.
Biochemistry, 48, 2009
3EX4
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BU of 3ex4 by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EXH
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BU of 3exh by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3FLQ
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BU of 3flq by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}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
3FPD
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BU of 3fpd by Molmil
G9a-like protein lysine methyltransferase inhibition by BIX-01294
分子名称: Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine, ...
著者Chang, Y, Zhang, X, Horton, J.R, Cheng, X.
登録日2009-01-05
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for G9a-like protein lysine methyltransferase inhibition by BIX-01294.
Nat.Struct.Mol.Biol., 16, 2009
3EVX
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BU of 3evx by Molmil
Crystal structure of the human E2-like ubiquitin-fold modifier conjugating enzyme 1 (Ufc1). Northeast Structural Genomics Consortium target HR41
分子名称: THIOCYANATE ION, Ufm1-conjugating enzyme 1
著者Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-10-13
公開日2008-10-21
最終更新日2023-01-04
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway.
J.STRUCT.FUNCT.GENOM., 10, 2009
3FEJ
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BU of 3fej by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3FJ8
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BU of 3fj8 by Molmil
Crystal structure of C117I mutant of Human acidic fibroblast growth factor
分子名称: Heparin-binding growth factor 1, SULFATE ION
著者Blaber, M, Lee, J.
登録日2008-12-14
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1.
J.Mol.Biol., 393, 2009
3F6Y
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BU of 3f6y by Molmil
Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium
分子名称: ADP-ribosyl cyclase 1, CALCIUM ION
著者Liu, Q, Graeff, R, Kriksunov, I.A, Lam, C.M.C, Lee, H.C, Hao, Q.
登録日2008-11-07
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium
Biochemistry, 47, 2008
3F97
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Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by soman
分子名称: (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE, ACETATE ION, Platelet-activating factor acetylhydrolase, ...
著者Samanta, U, Bahnson, B.J.
登録日2008-11-13
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
3FJA
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BU of 3fja by Molmil
Crystal structure of F132W mutant of Human acidic fibroblast growth factor
分子名称: FORMIC ACID, Heparin-binding growth factor 1
著者Blaber, M, Lee, J.
登録日2008-12-14
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1.
J.Mol.Biol., 393, 2009
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
3GTK
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BU of 3gtk by Molmil
Backtracked RNA polymerase II complex with 18mer RNA
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GRO
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BU of 3gro by Molmil
Human palmitoyl-protein thioesterase 1
分子名称: Palmitoyl-protein thioesterase 1, UNKNOWN ATOM OR ION
著者Dobrovetsky, E, Seitova, A, Tong, Y, Tempel, W, Dong, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Cossar, D, Park, H, Structural Genomics Consortium (SGC)
登録日2009-03-26
公開日2009-04-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Human palmitoyl-protein thioesterase 1
To be Published
3GSR
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BU of 3gsr by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5V peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5V (NLVPVVATV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GTP
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BU of 3gtp by Molmil
Backtracked RNA polymerase II complex with 24mer RNA
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3HCF
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Crystal Structure of hPNMT in Complex With 3-trifluoromethyl phenylethanolamine and AdoHcy
分子名称: (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol, 1,2-ETHANEDIOL, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3GLU
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BU of 3glu by Molmil
Crystal Structure of Human SIRT3 with AceCS2 peptide
分子名称: Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ...
著者Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
登録日2009-03-12
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLZ
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Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
分子名称: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-12
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
3GSV
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BU of 3gsv by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5Q peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5Q (NLVPQVATV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GYS
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Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.9 angstrom resolution
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta-A/B, PROTOPORPHYRIN IX CONTAINING FE
著者Balasubramanian, M, Sathya Moorthy, P, Neelagandan, K, Ponnuswamy, M.N.
登録日2009-04-05
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.9 angstrom resolution
To be Published
3E6K
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X-ray structure of Human Arginase I: the mutant D183A in complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2008-08-15
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009

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