3MVL
 
 | | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | | Descriptor: | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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
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3MW1
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | Descriptor: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | | Authors: | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2010-05-05 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
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1KKU
 | | Crystal structure of nuclear human nicotinamide mononucleotide adenylyltransferase | | Descriptor: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE | | Authors: | Garavaglia, S, D'Angelo, I, Emanuelli, M, Carnevali, F, Pierella, F, Magni, G, Rizzi, M. | | Deposit date: | 2001-12-10 | | Release date: | 2002-06-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of human NMN adenylyltransferase. A key nuclear enzyme for NAD homeostasis.
J.Biol.Chem., 277, 2002
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2GTX
 | | Structural Basis of Catalysis by Mononuclear Methionine Aminopeptidase | | Descriptor: | (1-AMINO-PENTYL)-PHOSPHONIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | | Authors: | Ye, Q.Z. | | Deposit date: | 2006-04-28 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of catalysis by monometalated methionine aminopeptidase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GU4
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7EOE
 | | Crystal structure of CCDC25 homodimer | | Descriptor: | Coiled-coil domain-containing protein 25 | | Authors: | Liu, Y.R. | | Deposit date: | 2021-04-22 | | Release date: | 2022-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of CCDC25 homodimer
To Be Published
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2PKH
 | | Structural Genomics, the crystal structure of the C-terminal domain of histidine utilization repressor from Pseudomonas syringae pv. tomato str. DC3000 | | Descriptor: | 1,2-ETHANEDIOL, Histidine utilization repressor | | Authors: | Tan, K, Zhou, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-04-17 | | Release date: | 2007-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of the C-terminal domain of histidine utilization repressor from Pseudomonas syringae pv. tomato str. DC3000.
To be Published
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2H46
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2KJE
 | | NMR structure of CBP TAZ2 and adenoviral E1A complex | | Descriptor: | CREB-binding protein, Early E1A 32 kDa protein, ZINC ION | | Authors: | Ferreon, J.C, Martinez-Yamout, M, Dyson, H, Wright, P.E. | | Deposit date: | 2009-05-27 | | Release date: | 2009-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for subversion of cellular control mechanisms by the adenoviral E1A oncoprotein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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5W4N
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5W4M
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2K8F
 | | Structural Basis for the Regulation of p53 Function by p300 | | Descriptor: | Cellular tumor antigen p53, Histone acetyltransferase p300 | | Authors: | Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E. | | Deposit date: | 2008-09-08 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation.
Structure, 17, 2009
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4N73
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3F8F
 | | Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Daunomycin | | Descriptor: | DAUNOMYCIN, Transcriptional regulator, PadR-like family | | Authors: | Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H. | | Deposit date: | 2008-11-12 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
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3F9X
 | | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y334F / H4-Lys20me2 / AdoHcy | | Descriptor: | Histone H4, Histone-lysine N-methyltransferase SETD8, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Couture, J.-F, Dirk, L.M.A, Brunzelle, J.S, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2008-11-14 | | Release date: | 2008-11-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural origins for the product specificity of SET domain protein methyltransferases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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1NYX
 | | Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist | | Descriptor: | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID, peroxisome proliferator activated receptor gamma | | Authors: | Ebdrup, S, Pettersson, I, Rasmussen, H.B, Deussen, H.-J, Frost Jensen, A, Mortensen, S.B, Fleckner, J, Pridal, L, Nygaard, L, Sauerberg, P. | | Deposit date: | 2003-02-14 | | Release date: | 2003-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and biological and structural characterization of the dual-acting peroxisome proliferator-activated receptor alpha/gamma agonist ragaglitazar
J.MED.CHEM., 46, 2003
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2K8X
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1OT7
 | | Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR | | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ... | | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2003-03-21 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
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2G1J
 | | Crystal structure of Mycobacterium tuberculosis Shikimate Kinase at 2.0 angstrom resolution | | Descriptor: | SULFATE ION, Shikimate kinase | | Authors: | Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2006-02-14 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue.
Biochemistry, 45, 2006
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2HIZ
 | | Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor | | Descriptor: | 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 | | Authors: | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | | Deposit date: | 2006-06-29 | | Release date: | 2007-01-23 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of potent inhibitors of human beta-secretase. Part 1.
Bioorg.Med.Chem.Lett., 17, 2007
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2NYX
 | | Crystal structure of RV1404 from Mycobacterium tuberculosis | | Descriptor: | Probable transcriptional regulatory protein, Rv1404 | | Authors: | 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) | | Deposit date: | 2006-11-21 | | Release date: | 2006-12-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of RV1404 from Mycobacterium tuberculosis
To be Published
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2HK9
 | | Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | | Deposit date: | 2006-07-03 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
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2RG5
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B | | Descriptor: | Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | | Authors: | Sack, J.S. | | Deposit date: | 2007-10-02 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
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2O63
 | | Crystal structure of Pim1 with Myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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2HUC
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