1MKL
| NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE | Descriptor: | 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | Authors: | Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P. | Deposit date: | 2002-08-29 | Release date: | 2002-10-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural refinement of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B(1) adduct in a 5'-Cp(AFB)G-3' sequence. Chem.Res.Toxicol., 15, 2002
|
|
213D
| |
241D
| EXTENSION OF THE FOUR-STRANDED INTERCALATED CYTOSINE MOTIF BY ADENINE.ADENINE BASE PAIRING IN THE CRYSTAL STRUCTURE OF D(CCCAAT) | Descriptor: | DNA (5'-D(*CP*CP*CP*AP*AP*T)-3') | Authors: | Berger, I, Kang, C, Fredian, A, Ratliff, R, Moyzis, R, Rich, A. | Deposit date: | 1995-12-07 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Extension of the four-stranded intercalated cytosine motif by adenine.adenine base pairing in the crystal structure of d(CCCAAT). Nat.Struct.Biol., 2, 1995
|
|
4JT9
| Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide] | Descriptor: | 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Dai, H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
|
|
3S9B
| |
2NWR
| Crystal structure of C11N mutant of KDO8P Synthase in complex with PEP | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHATE ION, PHOSPHOENOLPYRUVATE | Authors: | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | Deposit date: | 2006-11-16 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases. Biochemistry, 46, 2007
|
|
3G5E
| Human aldose reductase complexed with IDD 740 inhibitor | Descriptor: | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Podjarny, A.D, Van Zandt, M.C. | Deposit date: | 2009-02-05 | Release date: | 2009-03-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. Bioorg.Med.Chem.Lett., 19, 2009
|
|
2NWS
| Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE | Authors: | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | Deposit date: | 2006-11-16 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases. Biochemistry, 46, 2007
|
|
1H9O
| PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, CRYSTAL STRUCTURE AT 1.79 A | Descriptor: | BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR, PHOSPHATIDYLINOSITOL 3-KINASE | Authors: | Pauptit, R.A, Rowsell, S, Breeze, A.L, Murshudov, G.N, Dennis, C.A, Derbyshire, D.J, Weston, S.A. | Deposit date: | 2001-03-14 | Release date: | 2001-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | NMR Trial Models: Experiences with the Colicin Immunity Protein Im7 and the P85Alpha C-Terminal Sh2-Peptide Complex Acta Crystallogr.,Sect.D, 57, 2001
|
|
3GB6
| Structure of Giardia fructose-1,6-biphosphate aldolase D83A mutant in complex with fructose-1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-D-fructose, Fructose-bisphosphate aldolase, ZINC ION | Authors: | Galkin, A, Herzberg, O. | Deposit date: | 2009-02-18 | Release date: | 2009-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase. Biochemistry, 48, 2009
|
|
1CHZ
| A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH | Descriptor: | CHLORIDE ION, PROTEIN (BMK M2) | Authors: | He, X.L, Deng, J.P, Li, H.M, Wang, D.C. | Deposit date: | 1999-03-31 | Release date: | 2000-03-31 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of a new neurotoxin from the scorpion Buthus martensii Karsch at 1.76 A. Acta Crystallogr.,Sect.D, 56, 2000
|
|
3TW6
| Structure of Rhizobium etli pyruvate carboxylase T882A with the allosteric activator, acetyl coenzyme-A | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | St Maurice, M, Kumar, S, Lietzan, A.D. | Deposit date: | 2011-09-21 | Release date: | 2011-10-19 | Last modified: | 2011-12-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli. Biochemistry, 50, 2011
|
|
3NWB
| Rat COMT in complex with a fluorinated desoxyribose-containing bisubstrate inhibitor avoids hydroxyl group | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2010-07-09 | Release date: | 2011-08-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors Acta Crystallogr.,Sect.D, 68, 2012
|
|
2NT0
| Acid-beta-glucosidase low pH, glycerol bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glucosylceramidase, ... | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | Deposit date: | 2006-11-06 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Nat.Chem.Biol., 3, 2007
|
|
1D11
| INTERACTIONS BETWEEN AN ANTHRACYCLINE ANTIBIOTIC AND DNA MOLECULAR STRUCTURE OF DAUNOMYCIN COMPLEXED TO D(CPGPTPAPCPG) AT 1.2-ANGSTROMS RESOLUTION | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), SODIUM ION | Authors: | Wang, A.H.-J, Ughetto, G, Quigley, G.J, Rich, A. | Deposit date: | 1989-10-20 | Release date: | 1990-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Interactions between an anthracycline antibiotic and DNA: molecular structure of daunomycin complexed to d(CpGpTpApCpG) at 1.2-A resolution. Biochemistry, 26, 1987
|
|
2J1U
| |
3U2P
| Crystal structure of N-terminal three extracellular domains of ErbB4/Her4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4 | Authors: | Liu, P, Bouyain, S, Elgenbrot, C, Leahy, D.J. | Deposit date: | 2011-10-04 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The ErbB4 extracellular region retains a tethered-like conformation in the absence of the tether. Protein Sci., 21, 2012
|
|
2BS4
| GLU C180 -> ILE VARIANT QUINOL:FUMARATE REDUCTASE FROMWOLINELLA SUCCINOGENES | Descriptor: | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE, CITRIC ACID, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Lancaster, C.R.D. | Deposit date: | 2005-05-14 | Release date: | 2005-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Experimental Support for the E-Pathway Hypothesis of Coupled Transmembrane Electron and Proton Transfer in Dihemic Quinol:Fumarate Reductase Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
2NXI
| Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase. | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHATE ION, PHOSPHOENOLPYRUVATE | Authors: | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | Deposit date: | 2006-11-17 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic changes along an engineered path from metallo to nonmetallo 3-deoxy-D-manno-octulosonate 8-phosphate synthases Biochemistry, 46, 2007
|
|
1D81
| |
4A0E
| |
4D0Y
| |
1YA8
| Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin | Descriptor: | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL, 2-METHYLBUTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
2OW7
| Golgi alpha-mannosidase II complex with (1R,6S,7R,8S)-1-thioniabicyclo[4.3.0]nonan-7,8-diol chloride | Descriptor: | (1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuntz, D.A. | Deposit date: | 2007-02-15 | Release date: | 2008-01-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding. Proteins, 71, 2008
|
|
4H3J
| Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | Descriptor: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-10-17 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
|
|