1S1F
| Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ... | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | Deposit date: | 2004-01-06 | Release date: | 2005-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2 J.Biol.Chem., 280, 2005
|
|
3WSA
| The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole | Descriptor: | N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase | Authors: | Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-03-05 | Release date: | 2015-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SQ109, a new drug lead for Chagas disease. Antimicrob.Agents Chemother., 59, 2015
|
|
3WCC
| The complex structure of TcSQS with ligand, E5700 | Descriptor: | (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
1S6W
| Solution Structure of hybrid white striped bass hepcidin | Descriptor: | Hepcidin | Authors: | Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E. | Deposit date: | 2004-01-28 | Release date: | 2004-12-14 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections. J.Biol.Chem., 280, 2005
|
|
1S14
| Crystal structure of Escherichia coli Topoisomerase IV ParE 24kDa subunit | Descriptor: | NOVOBIOCIN, Topoisomerase IV subunit B | Authors: | Wei, Y, Gross, C.H. | Deposit date: | 2004-01-05 | Release date: | 2004-05-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase. Antimicrob.Agents Chemother., 48, 2004
|
|
4KTC
| NS3/NS4A protease with inhibitor | Descriptor: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | Authors: | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2013-05-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease. J.Med.Chem., 57, 2014
|
|
4K1R
| |
4K4D
| X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ... | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
|
|
4KBO
| Crystal structure of the human Mortalin (GRP75) ATPase domain in the apo form | Descriptor: | SODIUM ION, Stress-70 protein, mitochondrial | Authors: | Amick, J, Page, R.C, Nix, J.C, Misra, S. | Deposit date: | 2013-04-23 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the nucleotide-binding domain of mortalin, the mitochondrial Hsp70 chaperone. Protein Sci., 23, 2014
|
|
4KIN
| |
4K49
| X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
|
|
4KJU
| Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | Descriptor: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
|
|
4KEH
| Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP | Descriptor: | Acyl carrier protein, N-{3-[DIHYDROXY(NONYL)-LAMBDA~4~-SULFANYL]PROPYL}-N~3~-[(2R)-2-HYDROXY-3,3-DIMETHYL-4-(PHOSPHONOOXY)BUTANOYL]-BETA-ALANINAMIDE, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C. | Deposit date: | 2013-04-25 | Release date: | 2013-12-25 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Trapping the dynamic acyl carrier protein in fatty acid biosynthesis. Nature, 505, 2014
|
|
4BQH
| Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor | Descriptor: | (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | Authors: | Fang, W, Raimi, O.G, vanAalten, D.M.F. | Deposit date: | 2013-05-30 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei. Acs Chem.Biol., 8, 2013
|
|
4KJV
| Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | Descriptor: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
|
|
4KO0
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... | Authors: | Das, K, Bauman, J.D, Arnold, E. | Deposit date: | 2013-05-10 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4KIP
| |
8ABP
| |
8QPW
| |
173L
| PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | Authors: | Xiong, X.-P, Zhang, X.-J, Sun, D, Matthews, B.W. | Deposit date: | 1995-03-24 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme. J.Mol.Biol., 250, 1995
|
|
177L
| |
1AI5
| PENICILLIN ACYLASE COMPLEXED WITH M-NITROPHENYLACETIC ACID | Descriptor: | 2-(3-NITROPHENYL)ACETIC ACID, CALCIUM ION, PENICILLIN AMIDOHYDROLASE | Authors: | Done, S.H. | Deposit date: | 1997-05-01 | Release date: | 1997-11-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Ligand-induced conformational change in penicillin acylase. J.Mol.Biol., 284, 1998
|
|
172L
| |
1A22
| HUMAN GROWTH HORMONE BOUND TO SINGLE RECEPTOR | Descriptor: | GROWTH HORMONE, GROWTH HORMONE RECEPTOR | Authors: | De Vos, A.M, Ultsch, M. | Deposit date: | 1998-01-15 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional analysis of the 1:1 growth hormone:receptor complex reveals the molecular basis for receptor affinity. J.Mol.Biol., 277, 1998
|
|
1ALG
| SOLUTION STRUCTURE OF AN HGR INHIBITOR, NMR, 10 STRUCTURES | Descriptor: | P11 | Authors: | Schott, M.K, Nordhoff, A, Becker, K, Kalbitzer, H.R, Schirmer, R.H. | Deposit date: | 1997-06-03 | Release date: | 1997-10-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Denaturation and reactivation of dimeric human glutathione reductase--an assay for folding inhibitors. Eur.J.Biochem., 245, 1997
|
|