3I95
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3QCE
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3I9H
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3IAA
| Crystal Structure of CalG2, Calicheamicin Glycosyltransferase, TDP bound form | Descriptor: | CalG2, THYMIDINE-5'-DIPHOSPHATE | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2009-07-13 | Release date: | 2010-06-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity. Proc.Natl.Acad.Sci.USA, 108, 2011
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3IAS
| Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sazanov, L.A, Berrisford, J.M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis for the mechanism of respiratory complex I J.Biol.Chem., 284, 2009
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3IAN
| Crystal structure of a chitinase from Lactococcus lactis subsp. lactis | Descriptor: | 1,2-ETHANEDIOL, Chitinase, SODIUM ION | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Ozyurt, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-14 | Release date: | 2009-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a chitinase from Lactococcus lactis subsp. lactis To be Published
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3IES
| Firefly luciferase inhibitor complex | Descriptor: | 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine, Luciferin 4-monooxygenase | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3QFX
| Trypanosoma brucei dihydrofolate reductase pyrimethamine complex | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vanichtanankul, J, Yuvaniyama, J, Taweechai, S, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y. | Deposit date: | 2011-01-24 | Release date: | 2011-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trypanosomal dihydrofolate reductase reveals natural antifolate resistance Acs Chem.Biol., 6, 2011
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3IB9
| Propionyl-CoA Carboxylase Beta Subunit, D422L | Descriptor: | BIOTIN, Propionyl-CoA carboxylase complex B subunit, SULFATE ION | Authors: | Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Pham, H, Melgar, M.M. | Deposit date: | 2009-07-15 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor. Biochemistry, 49, 2010
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3QGK
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3QGG
| Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase, ... | Authors: | Sheriff, S. | Deposit date: | 2011-01-24 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 21, 2011
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3QJ7
| Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-01-28 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition To be Published
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3IC0
| Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298 | Descriptor: | 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | Deposit date: | 2009-07-17 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and in Vitro Chracterization of Pridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents To be Published
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3ICZ
| Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ... | Authors: | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | Deposit date: | 2009-07-19 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3QIY
| Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3QLX
| Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A) | Descriptor: | 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | Deposit date: | 2011-02-03 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.239 Å) | Cite: | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78, 2011
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3IK9
| Human GST A1-1-GIMF with GSDHN | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1 | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2009-08-05 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry, 49, 2010
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3QME
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3QK5
| Crystal structure of fatty acid amide hydrolase with small molecule inhibitor | Descriptor: | (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile, 1,2-ETHANEDIOL, Fatty-acid amide hydrolase 1, ... | Authors: | Min, X, Walker, N.P.C, Wang, Z. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3QMM
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3IEF
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3QHC
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3IMT
| Transthyretin in complex with (E)-4-(4-aminostyryl)-2,6-dibromophenol | Descriptor: | 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol, Transthyretin | Authors: | Connelly, S, Wilson, I. | Deposit date: | 2009-08-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
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3IET
| Crystal Structure of 237mAb with antigen | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Immunoglobulin heavy chain (IgG2a), Immunoglobulin light chain (IgG2a), ... | Authors: | Brooks, C.L, Evans, S.V, Borisova, S.N. | Deposit date: | 2009-07-23 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antibody recognition of a unique tumor-specific glycopeptide antigen. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IN7
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