3MYK
 
 | | Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, MAGNESIUM ION, Myosin-2 heavy chain, ... | | Authors: | Frye, J.J, Klenchin, V.A, Bagshaw, C.R, Rayment, I. | | Deposit date: | 2010-05-10 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Insights into the importance of hydrogen bonding in the gamma-phosphate binding pocket of myosin: structural and functional studies of serine 236
Biochemistry, 49, 2010
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3UMS
 | | Crystal structure of the G202A mutant of human G-alpha-i1 | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Lambert, N.A, Johnston, C.A, Cappell, S.D, Kuravi, S, Kimple, A.J, Willard, F.S, Siderovski, D.P. | | Deposit date: | 2011-11-14 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Correction for Regulators of G-protein Signaling accelerate GPCR signaling kinetics and govern sensitivity solely by accelerating GTPase activity
Proc.Natl.Acad.Sci.USA, 2012
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3RK9
 | | CDK2 in complex with inhibitor RC-2-74 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-17 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3UE8
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... | | Authors: | Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
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4DTW
 | | cytochrome P450 BM3h-8C8 MRI sensor bound to serotonin | | Descriptor: | Cytochrome P450 BM3 variant 8C8, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DWV
 | | Horse alcohol dehydrogenase complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | Authors: | Plapp, B.V, Ramaswamy, S. | | Deposit date: | 2012-02-26 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Atomic-Resolution Structures of Horse Liver Alcohol Dehydrogenase with NAD(+) and Fluoroalcohols Define Strained Michaelis Complexes.
Biochemistry, 51, 2012
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4DXH
 | | Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | | Authors: | Plapp, B.V, Ramaswamy, S. | | Deposit date: | 2012-02-27 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Atomic-Resolution Structures of Horse Liver Alcohol Dehydrogenase with NAD(+) and Fluoroalcohols Define Strained Michaelis Complexes.
Biochemistry, 51, 2012
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1TTM
 | | Human carbonic anhydrase II complexed with 667-coumate | | Descriptor: | 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE, Carbonic anhydrase II, ZINC ION | | Authors: | Lloyd, M.D, Pederick, R.L, Natesh, R, Woo, L.W.L, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | | Deposit date: | 2004-06-23 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent
Biochem.J., 385, 2005
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3RMF
 | | CDK2 in complex with inhibitor RC-2-33 | | Descriptor: | 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-20 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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1U53
 | | Novel X-Ray Structure of Na-ASP-2, a PR-1 protein from the nematode parasite Necator americanus and a vaccine antigen for human hookworm infection | | Descriptor: | secreted protein ASP-2 | | Authors: | Asojo, O.A, Goud, G, Dhar, K, Loukas, A, Zhan, B, Deumic, V, Liu, S, Borgstahl, G.E.O, Hotez, P.J. | | Deposit date: | 2004-07-26 | | Release date: | 2005-02-01 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | X-ray structure of Na-ASP-2, a pathogenesis-related-1 protein from the nematode parasite, Necator americanus, and a vaccine antigen for human hookworm infection.
J.Mol.Biol., 346, 2005
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3VNW
 | | Crystal structure of cytochrome c552 from Thermus thermophilus at pH 5.44 | | Descriptor: | Cytochrome c-552, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yamada, S, Bouley-Ford, N.D, Keller, G.E, Winkler, J.R, Gray, H.B. | | Deposit date: | 2012-01-18 | | Release date: | 2013-01-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Snapshots of a protein folding intermediate
Proc.Natl.Acad.Sci.USA, 110, 2013
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3OO4
 | | R-state human hemoglobin: nitriheme modified at alpha | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | Authors: | Yi, J, Thormas, L.M, Richter-Addo, G.B. | | Deposit date: | 2010-08-30 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
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7F6G
 | | Cryo-EM structure of human angiotensin receptor AT1R in complex Gq proteins and Sar1-AngII | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin receptor AT1R, CHOLESTEROL, ... | | Authors: | Zhang, D, Xu, L, Zhan, Y, Guo, J, Zhang, H. | | Deposit date: | 2021-06-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists.
Embo J., 42, 2023
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3VCR
 | | Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica | | Descriptor: | PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase | | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-01-04 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
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3QQQ
 | | Crystal structure of non-symbiotic plant hemoglobin from Trema tomentosa | | Descriptor: | Non-symbiotic hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Kakar, S, Sturms, R, Savage, A, Nix, J.C, Dispirito, A, Hargrove, M.S. | | Deposit date: | 2011-02-16 | | Release date: | 2011-04-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structures of Parasponia and Trema hemoglobins: differential heme coordination is linked to quaternary structure.
Biochemistry, 50, 2011
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4H2H
 | | Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine) | | Descriptor: | (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate, (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ... | | Authors: | Vetting, M.W, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-09-12 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
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4CS3
 | | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with an adenylated furan-bearing noncanonical amino acid and pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-(furan-2-yl)ethyl hydrogen carbonate, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
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4I4C
 | | Crystal structure of the protein frsA complexed with unknown ligand | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, HEXANOIC ACID, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Richards, N, Almo, S.C. | | Deposit date: | 2012-11-27 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational, structural, and kinetic evidence that Vibrio vulnificus FrsA is not a cofactor-independent pyruvate decarboxylase.
Biochemistry, 52, 2013
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1PCG
 | | Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions | | Descriptor: | ESTRADIOL, estrogen receptor, peptide inhibitor | | Authors: | Leduc, A.M, Trent, J.O, Wittliff, J.L, Bramlett, K.S, Briggs, S.L, Chirgadze, N.Y, Wang, Y, Burris, T.P, Spatola, A.F. | | Deposit date: | 2003-05-16 | | Release date: | 2003-10-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
Proc.Natl.Acad.Sci.USA, 100, 2003
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4D9K
 | | Crystal structure of Escherichia coli Diaminopropionate ammonia lyase in apo form | | Descriptor: | Diaminopropionate ammonia-lyase, PHOSPHATE ION, SULFATE ION | | Authors: | Bisht, S, Rajaram, V, Bharath, S.R, Murthy, M.R.N. | | Deposit date: | 2012-01-11 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of Escherichia coli Diaminopropionate Ammonia-lyase Reveals Mechanism of Enzyme Activation and Catalysis
J.Biol.Chem., 287, 2012
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3R9N
 | | CDK2 in complex with inhibitor RC-2-21 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-25 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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2B00
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate | | Descriptor: | CALCIUM ION, GLYCOCHOLIC ACID, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2B04
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycochenodeoxycholate | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCOCHENODEOXYCHOLIC ACID, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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3RK7
 | | CDK2 in complex with inhibitor RC-2-71 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-17 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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2AZY
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Cholate | | Descriptor: | CALCIUM ION, CHOLIC ACID, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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