9CPD
 
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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1DEL
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1H6V
 | | Mammalian thioredoxin reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOREDOXIN REDUCTASE | | Authors: | Sandalova, T, Zhong, L, Lindqvist, Y, Holmgren, A, Schneider, G. | | Deposit date: | 2001-06-27 | | Release date: | 2001-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Three-Dimensional Structure of a Mammalian Thioredoxin Reductase: Implication for Mechanism and Evolution of a Selenocysteine Dependent Enzyme
Proc.Natl.Acad.Sci.USA, 98, 2001
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9CPJ
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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9CPG
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-carbamimidamidophenyl 4-carbamimidamidobenzoate, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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9CPI
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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3SGB
 | | STRUCTURE OF THE COMPLEX OF STREPTOMYCES GRISEUS PROTEASE B AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | PROTEINASE B (SGPB), TURKEY OVOMUCOID INHIBITOR (OMTKY3) | | Authors: | Read, R.J, Fujinaga, M, Sielecki, A.R, James, M.N.G. | | Deposit date: | 1983-01-21 | | Release date: | 1983-07-12 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the complex of Streptomyces griseus protease B and the third domain of the turkey ovomucoid inhibitor at 1.8-A resolution.
Biochemistry, 22, 1983
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4NKC
 | | Human Aldose Reductase complexed with Schl7764 at 1.12 A | | Descriptor: | (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2013-11-12 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Keys to open the specificity pocket: Biaryl Inhibitors of the human aldose reductase
To be Published
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3QDA
 | | Crystal structure of W95L beta-2 microglobulin | | Descriptor: | Beta-2-microglobulin, TRIETHYLENE GLYCOL | | Authors: | Ricagno, S, Bellotti, V, Bolognesi, M. | | Deposit date: | 2011-01-18 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The two tryptophans of beta2-microglobulin have distinct roles in function and folding and might represent two independent responses to evolutionary pressure.
BMC Evol Biol, 11, 2011
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1S5J
 | | Insight in DNA Replication: The crystal structure of DNA Polymerase B1 from the archaeon Sulfolobus solfataricus | | Descriptor: | DNA polymerase I, MAGNESIUM ION, SULFATE ION | | Authors: | Savino, C, Federici, L, Nastopoulos, V, Johnson, K.A, Pisani, F.M, Rossi, M, Tsernoglou, D. | | Deposit date: | 2004-01-21 | | Release date: | 2004-11-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights into DNA replication: the crystal structure of DNA polymerase B1 from the archaeon Sulfolobus solfataricus
Structure, 12, 2004
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1CSQ
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2VC5
 | | Structural basis for natural lactonase and promiscuous phosphotriesterase activities | | Descriptor: | 1,2-ETHANEDIOL, ARYLDIALKYLPHOSPHATASE, COBALT (II) ION, ... | | Authors: | Elias, M, Dupuy, J, Merone, L, Mandrich, L, Moniot, S, Lecomte, C, Rossi, M, Masson, P, Manco, G, Chabriere, E. | | Deposit date: | 2007-09-18 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Natural Lactonase and Promiscuous Phosphotriesterase Activities.
J.Mol.Biol., 379, 2008
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1YGW
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1BS1
 | | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , INORGANIC PHOSPHATE AND MAGNESIUM | | Descriptor: | 8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y. | | Deposit date: | 1998-08-31 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
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1U0B
 | | Crystal structure of cysteinyl-tRNA synthetase binary complex with tRNACys | | Descriptor: | Cysteine--tRNA ligase, ZINC ION, cysteinyl tRNA | | Authors: | Hauenstein, S, Zhang, C.M, Hou, Y.M, Perona, J.J. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Shape-selective RNA recognition by cysteinyl-tRNA synthetase
Nat.Struct.Mol.Biol., 11, 2004
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1CYD
 | | CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL | | Descriptor: | CARBONYL REDUCTASE, ISOPROPYL ALCOHOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Tanaka, N, Nonaka, T, Mitsui, Y. | | Deposit date: | 1995-09-01 | | Release date: | 1996-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the ternary complex of mouse lung carbonyl reductase at 1.8 A resolution: the structural origin of coenzyme specificity in the short-chain dehydrogenase/reductase family.
Structure, 4, 1996
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1CVW
 | | Crystal structure of active site-inhibited human coagulation factor VIIA (DES-GLA) | | Descriptor: | CALCIUM ION, COAGULATION FACTOR VIIA (HEAVY CHAIN) (DES-GLA), COAGULATION FACTOR VIIA (LIGHT CHAIN) (DES-GLA), ... | | Authors: | Kemball-Cook, G, Johnson, D.J.D, Tuddenham, E.G.D, Harlos, K. | | Deposit date: | 1999-08-24 | | Release date: | 1999-08-31 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of active site-inhibited human coagulation factor VIIa (des-Gla).
J.Struct.Biol., 127, 1999
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4NAE
 | | PcrB from Geobacillus kaustophilus, with bound G1P | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Heptaprenylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE | | Authors: | Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P. | | Deposit date: | 2013-10-22 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Mol.Microbiol., 92, 2014
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1RL9
 | | Crystal structure of Creatine-ADP arginine kinase ternary complex | | Descriptor: | (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, ... | | Authors: | Azzi, A, Clark, S.A, Ellington, R.W, Chapman, M.S. | | Deposit date: | 2003-11-25 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The role of phosphagen specificity loops in arginine kinase.
Protein Sci., 13, 2004
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1X6U
 | | KDO8P synthase in it's binary complex with the product KDO8P | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid | | Authors: | Vainer, R, Belakhov, V, Rabkin, E, Baasov, T, Adir, N. | | Deposit date: | 2004-08-12 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Escherichia coli KDO8P Synthase Complexes Reveal the Source of Catalytic Irreversibility
J.Mol.Biol., 351, 2005
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1KQU
 | | Human phospholipase A2 complexed with a substrate anologue | | Descriptor: | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID, CALCIUM ION, Phospholipase A2, ... | | Authors: | Tyndall, J.D, Martin, J.L. | | Deposit date: | 2002-01-07 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | D-Tyrosine as a chiral precusor to potent inhibitors of human nonpancreatic secretory phospholipase A2 (IIa) with antiinflammatory activity.
Chembiochem, 4, 2003
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2W5B
 | | Human Nek2 kinase ATPgammaS-bound | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Bayliss, R. | | Deposit date: | 2008-12-08 | | Release date: | 2008-12-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase.
J.Mol.Biol., 386, 2009
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1TVP
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1TVN
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2BAI
 | | The Zinc finger domain of Mengovirus Leader polypeptide | | Descriptor: | Genome polyprotein, ZINC ION | | Authors: | Cornilescu, C.C, Porter, F.W, Qin, Z, Lee, M.S, Palmenberg, A.C, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2005-10-14 | | Release date: | 2006-01-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the mengovirus Leader protein zinc-finger domain.
Febs Lett., 582, 2008
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