2POB
| PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709 | Descriptor: | GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma | Authors: | Nolte, R.T. | Deposit date: | 2007-04-26 | Release date: | 2008-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cocrystal structure guided array synthesis of PPARgamma inverse agonists BIOORG.MED.CHEM.LETT., 17, 2007
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2PNK
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1GGM
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1K0L
| Pseudomonas aeruginosa phbh R220Q free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1JVT
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3BUN
| Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Sprouty4 | Descriptor: | 13-meric peptide from Protein sprouty homolog 4, E3 ubiquitin-protein ligase CBL | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | Deposit date: | 2008-01-03 | Release date: | 2008-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates Embo J., 27, 2008
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1K0I
| Pseudomonas aeruginosa phbh R220Q in complex with 100mM PHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1K0J
| Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, P-HYDROXYBENZOATE HYDROXYLASE, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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6GGN
| In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor | Descriptor: | (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2 | Authors: | Kallen, J. | Deposit date: | 2018-05-03 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor. Bioorg. Med. Chem. Lett., 28, 2018
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6GJ4
| Tubulin-6j complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ... | Authors: | Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S. | Deposit date: | 2018-05-16 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents. Eur J Med Chem, 162, 2018
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7MHK
| Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9601 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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4ZFZ
| Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with myristoylated 5-mer lipopeptide derived from SIV Nef protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-mer lipopeptide from Protein Nef, ... | Authors: | Morita, D, Sugita, M. | Deposit date: | 2015-04-22 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex Nat Commun, 7, 2016
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7EC1
| Crystal structure of SdgB (ligand-free form) | Descriptor: | GLYCEROL, Glycosyl transferase, group 1 family protein, ... | Authors: | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | Deposit date: | 2021-03-11 | Release date: | 2021-03-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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7XGA
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1B2I
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3KGQ
| Carboxypeptidase A liganded to an organic small-molecule: conformational changes | Descriptor: | ACETONE, CITRIC ACID, Carboxypeptidase A1, ... | Authors: | Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J. | Deposit date: | 2009-10-29 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A Enzyme Res, 2011, 2011
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3BUX
| Crystal structure of c-Cbl-TKB domain complexed with its binding motif in c-Met | Descriptor: | 13-meric peptide from Hepatocyte growth factor receptor, E3 ubiquitin-protein ligase CBL | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | Deposit date: | 2008-01-03 | Release date: | 2008-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates Embo J., 27, 2008
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4IYJ
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3ENI
| Crystal structure of the Fenna-Matthews-Olson Protein from Chlorobaculum Tepidum | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein | Authors: | Tronrud, D, Camara-Artigas, A, Blankenship, R, Allen, J.P. | Deposit date: | 2008-09-25 | Release date: | 2009-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria. Photosynth.Res., 100, 2009
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5KTC
| FdhC with bound products: Coenzyme A and 3-[(R)-3-hydroxybutanoylamino]-3,6-dideoxy-d-galactose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, FdhC, ... | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2016-07-11 | Release date: | 2016-07-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily. Biochemistry, 55, 2016
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2OUW
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3BUW
| Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Syk | Descriptor: | 13-meric peptide from Tyrosine-protein kinase SYK, E3 ubiquitin-protein ligase CBL | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | Deposit date: | 2008-01-03 | Release date: | 2008-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates Embo J., 27, 2008
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5SUO
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2Q7I
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2A1O
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