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3FE1
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Crystal structure of the human 70kDa heat shock protein 6 (Hsp70B') ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 6, ...
Authors:Wisniewska, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Schueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-27
Release date:2008-12-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3F96
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Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by sarin
Descriptor: Platelet-activating factor acetylhydrolase
Authors:Samanta, U, Bahnson, B.J.
Deposit date:2008-11-13
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
3F9N
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Crystal structure of chk1 kinase in complex with inhibitor 38
Descriptor: 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Yan, Y, Munshi, S, Ikuta, M.
Deposit date:2008-11-14
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of thioquinazolinones, allosteric Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FAA
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Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor
Descriptor: N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide, PHOSPHATE ION, TGF-beta receptor type-1
Authors:Boriack-Sjodin, P.A, Fitch, C.
Deposit date:2008-11-16
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:2-Aminoimidazoles inhibitors of TGF-beta receptor 1.
Bioorg.Med.Chem.Lett., 19, 2009
3FEA
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Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2 at 1.33A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2
Authors:Kallen, J.
Deposit date:2008-11-28
Release date:2009-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes
J.Biol.Chem., 284, 2009
3FEI
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Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3FF7
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Structure of NK cell receptor KLRG1 bound to E-cadherin
Descriptor: ACETIC ACID, Epithelial cadherin, Killer cell lectin-like receptor subfamily G member 1
Authors:Li, Y, Mariuzza, R.A.
Deposit date:2008-12-02
Release date:2009-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
3FGH
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Human mitochondrial transcription factor A box B
Descriptor: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A.
Deposit date:2008-12-06
Release date:2009-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
3FPM
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Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2
Descriptor: 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione, MAP kinase-activated protein kinase 2
Authors:Parris, K.D.
Deposit date:2009-01-05
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17, 2009
3EXI
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Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex with the subunit-binding domain (SBD) of E2p, but SBD cannot be modeled into the electron density
Descriptor: CHLORIDE ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3F1O
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Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with an internally-bound artificial ligand
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ...
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F23
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Crystal structure of Zalpha in complex with d(CGGCCG)
Descriptor: DNA (5'-D(*DTP*DCP*DGP*DGP*DCP*DCP*DG)-3'), Double-stranded RNA-specific adenosine deaminase
Authors:Ha, S.C, Choi, J, Kim, K.K.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1
Nucleic Acids Res., 37, 2009
3EZV
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CDK-2 with indazole inhibitor 9 bound at its active site
Descriptor: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
3FAU
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Crystal Structure of human small-MutS related domain
Descriptor: NEDD4-binding protein 2
Authors:Kim, T.G, Kwon, T.H, Ryu, E.K, Min, K, Heo, S.-D, Song, K.M, Jun, W.J, Jung, E.
Deposit date:2008-11-18
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Strcutral Dynamincs of the Endonuclease Small-MutS Related Domains of BCL3 binding protein
To be Published
3FB2
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Crystal structure of the human brain alpha spectrin repeats 15 and 16. Northeast Structural Genomics Consortium target HR5563a.
Descriptor: Spectrin alpha chain, brain spectrin
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-18
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the human brain alpha spectrin repeats 15 and 16.
To be Published
3FCB
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Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH
Descriptor: N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE, transthyretin
Authors:Gales, L, Damas, A.M.
Deposit date:2008-11-21
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
3FCO
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BU of 3fco by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2008-11-21
Release date:2009-12-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FJB
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Crystal structure of V31I mutant of Human acidic fibroblast growth factor
Descriptor: Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-14
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
3FFN
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BU of 3ffn by Molmil
Crystal structure of calcium-free human gelsolin
Descriptor: Gelsolin
Authors:Chumnarnsilpa, S, Robinson, R.C, Burtnick, L.D.
Deposit date:2008-12-04
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ca2+ binding by domain 2 plays a critical role in the activation and stabilization of gelsolin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FJI
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Crystal structure of K12V/C83I/C117V mutant of Human acidic fibroblast growth factor
Descriptor: Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-14
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine.
J.Mol.Biol., 393, 2009
3FGS
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Crystal structure of G65R/K206E double mutant of the N-lobe human transferrin
Descriptor: CARBONATE ION, FE (III) ION, Serotransferrin
Authors:Halbrooks, P.J, Mason, A.B, Everse, S.J.
Deposit date:2008-12-08
Release date:2009-05-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Consequences of the Substitution of Glycine 65 with Arginine in the N-Lobe of Human Transferrin.
Biochemistry, 48, 2009
3FKI
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12-Subunit RNA Polymerase II Refined with Zn-SAD data
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Meyer, P.A, Ye, P, Suh, M.H, Zhang, M, Fu, J.
Deposit date:2008-12-16
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.88 Å)
Cite:Structure of the 12-Subunit RNA Polymerase II Refined with the Aid of Anomalous Diffraction Data
J.Biol.Chem., 284, 2009
3FLQ
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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
Descriptor: 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
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3EX4
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human orotidyl-5'-monophosphate decarboxylase in complex with BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine-5'-phosphate decarboxylase
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EXH
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Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
Descriptor: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008

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