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3MVL
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P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
分子名称: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MW1
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BU of 3mw1 by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14
著者Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M.
登録日2010-05-05
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
1KKU
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BU of 1kku by Molmil
Crystal structure of nuclear human nicotinamide mononucleotide adenylyltransferase
分子名称: NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE
著者Garavaglia, S, D'Angelo, I, Emanuelli, M, Carnevali, F, Pierella, F, Magni, G, Rizzi, M.
登録日2001-12-10
公開日2002-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of human NMN adenylyltransferase. A key nuclear enzyme for NAD homeostasis.
J.Biol.Chem., 277, 2002
2GTX
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BU of 2gtx by Molmil
Structural Basis of Catalysis by Mononuclear Methionine Aminopeptidase
分子名称: (1-AMINO-PENTYL)-PHOSPHONIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
著者Ye, Q.Z.
登録日2006-04-28
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of catalysis by monometalated methionine aminopeptidase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GU4
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BU of 2gu4 by Molmil
E. coli methionine aminopeptidase in complex with NleP, 1: 0.5, di-metalated
分子名称: (1-AMINO-PENTYL)-PHOSPHONIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
著者Ye, Q.Z.
登録日2006-04-28
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of catalysis by monometalated methionine aminopeptidase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7EOE
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BU of 7eoe by Molmil
Crystal structure of CCDC25 homodimer
分子名称: Coiled-coil domain-containing protein 25
著者Liu, Y.R.
登録日2021-04-22
公開日2022-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of CCDC25 homodimer
To Be Published
2PKH
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BU of 2pkh by Molmil
Structural Genomics, the crystal structure of the C-terminal domain of histidine utilization repressor from Pseudomonas syringae pv. tomato str. DC3000
分子名称: 1,2-ETHANEDIOL, Histidine utilization repressor
著者Tan, K, Zhou, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-04-17
公開日2007-05-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The crystal structure of the C-terminal domain of histidine utilization repressor from Pseudomonas syringae pv. tomato str. DC3000.
To be Published
2H46
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Native domain-swapped dimer crystal structure of the Grb2 SH2 domain
分子名称: GLYCEROL, Growth Receptor Binding Protein 2
著者Benfield, A.P, Martin, S.F, Whiddon, B.B.
登録日2006-05-23
公開日2006-06-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and energetic aspects of Grb2-SH2 domain-swapping.
Arch.Biochem.Biophys., 462, 2007
2KJE
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BU of 2kje by Molmil
NMR structure of CBP TAZ2 and adenoviral E1A complex
分子名称: CREB-binding protein, Early E1A 32 kDa protein, ZINC ION
著者Ferreon, J.C, Martinez-Yamout, M, Dyson, H, Wright, P.E.
登録日2009-05-27
公開日2009-09-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for subversion of cellular control mechanisms by the adenoviral E1A oncoprotein.
Proc.Natl.Acad.Sci.USA, 106, 2009
5W4N
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BU of 5w4n by Molmil
Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2(C45S)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Transcriptional regulator
著者Neiditch, M.B, Khataokar, A.A, Capodagli, G.C.
登録日2017-06-12
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Activating mutations in quorum-sensing regulator Rgg2 and its conformational flexibility in the absence of an intermolecular disulfide bond.
J. Biol. Chem., 292, 2017
5W4M
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Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2(C45S)
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-12
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Activating mutations in quorum-sensing regulator Rgg2 and its conformational flexibility in the absence of an intermolecular disulfide bond.
J. Biol. Chem., 292, 2017
2K8F
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BU of 2k8f by Molmil
Structural Basis for the Regulation of p53 Function by p300
分子名称: Cellular tumor antigen p53, Histone acetyltransferase p300
著者Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E.
登録日2008-09-08
公開日2009-03-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation.
Structure, 17, 2009
4N73
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BU of 4n73 by Molmil
Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt Protoporphyrin IX
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING CO
著者Matta-Camacho, E, Kojetin, D.
登録日2013-10-14
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8662 Å)
主引用文献Structure of REV-ERB beta Ligand-binding Domain Bound to a Porphyrin Antagonist.
J.Biol.Chem., 289, 2014
3F8F
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Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Daunomycin
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H.
登録日2008-11-12
公開日2008-12-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
3F9X
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BU of 3f9x by Molmil
Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y334F / H4-Lys20me2 / AdoHcy
分子名称: Histone H4, Histone-lysine N-methyltransferase SETD8, S-ADENOSYL-L-HOMOCYSTEINE
著者Couture, J.-F, Dirk, L.M.A, Brunzelle, J.S, Houtz, R.L, Trievel, R.C.
登録日2008-11-14
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural origins for the product specificity of SET domain protein methyltransferases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1NYX
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BU of 1nyx by Molmil
Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist
分子名称: (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID, peroxisome proliferator activated receptor gamma
著者Ebdrup, S, Pettersson, I, Rasmussen, H.B, Deussen, H.-J, Frost Jensen, A, Mortensen, S.B, Fleckner, J, Pridal, L, Nygaard, L, Sauerberg, P.
登録日2003-02-14
公開日2003-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and biological and structural characterization of the dual-acting peroxisome proliferator-activated receptor alpha/gamma agonist ragaglitazar
J.MED.CHEM., 46, 2003
2K8X
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GlyTM1b(1-19)zip: A Chimeric Peptide Model of the N-Terminus of a Rat Short Alpha-Tropomyosin with the N-Terminus Encoded by Exon 1b in Complex with TM9d(252-284), a Peptide Model Containing the C Terminus of Alpha-Tropomyosin Encoded by Exon 9d
分子名称: TM1b(1-19)Zip
著者Greenfield, N.J, Kotylanskaya, L, Hitchcock-DeGregori, S.E.
登録日2008-09-25
公開日2009-04-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the N terminus of a nonmuscle alpha-tropomyosin in complex with the C terminus: implications for actin binding.
Biochemistry, 48, 2009
1OT7
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BU of 1ot7 by Molmil
Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR
分子名称: 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ...
著者Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F.
登録日2003-03-21
公開日2004-03-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
2G1J
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BU of 2g1j by Molmil
Crystal structure of Mycobacterium tuberculosis Shikimate Kinase at 2.0 angstrom resolution
分子名称: SULFATE ION, Shikimate kinase
著者Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X.
登録日2006-02-14
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue.
Biochemistry, 45, 2006
2HIZ
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BU of 2hiz by Molmil
Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor
分子名称: BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE, Beta-secretase 1, PHOSPHATE ION
著者Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J.
登録日2006-06-29
公開日2007-01-23
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of potent inhibitors of human beta-secretase. Part 1.
Bioorg.Med.Chem.Lett., 17, 2007
2NYX
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Crystal structure of RV1404 from Mycobacterium tuberculosis
分子名称: Probable transcriptional regulatory protein, Rv1404
著者Yu, M, Bursey, E.H, Radhakannan, R, Kim, C.-Y, Kaviratne, T, Woodruff, T, Segelke, B.W, Lekin, T, Toppani, D, Terwilliger, T.C, Hung, L.-W, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
登録日2006-11-21
公開日2006-12-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of RV1404 from Mycobacterium tuberculosis
To be Published
2HK9
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Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
2RG5
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Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
2O63
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Crystal structure of Pim1 with Myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B.
登録日2006-12-06
公開日2007-02-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
2HUC
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Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
分子名称: Phospholipase C, ZINC ION
著者Benfield, A.P, Martin, S.F, Antikainen, N.M.
登録日2006-07-26
公開日2006-08-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007

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