3SJQ
 
 | | Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin | | Descriptor: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | | Deposit date: | 2011-06-21 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for calmodulin as a dynamic calcium sensor.
Structure, 20, 2012
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4ID1
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4N0V
 | | Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 | | Descriptor: | Glutathione S-transferase, N-terminal domain | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-10-02 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332
TO BE PUBLISHED
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4MZS
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1KU7
 | | Crystal Structure of Thermus aquatics RNA Polymerase SigmaA Subunit Region 4 Bound to-35 Element DNA | | Descriptor: | 5'-D(*CP*CP*TP*TP*GP*AP*CP*AP*AP*AP*G)-3', 5'-D(*CP*CP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3', sigma factor sigA | | Authors: | Campbell, E.A, Muzzin, O, Chlenov, M, Sun, J.L, Olson, C.A, Weinman, O, Trester-Zedlitz, M.L, Darst, S.A. | | Deposit date: | 2002-01-21 | | Release date: | 2002-03-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the bacterial RNA polymerase promoter specificity sigma subunit.
Mol.Cell, 9, 2002
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4N01
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1KV0
 | | Cis/trans Isomerization of Non-prolyl Peptide Bond Observed in Crystal Structure of an Scorpion Toxin | | Descriptor: | Alpha-like toxin BmK-M7 | | Authors: | Guan, R.J, He, X.L, Wang, M, Xiang, Y, Wang, D.C. | | Deposit date: | 2002-01-23 | | Release date: | 2003-09-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural mechanism governing cis and trans isomeric states and an intramolecular switch for cis/trans isomerization of a non-proline peptide bond observed in crystal structures of scorpion toxins.
J.Mol.Biol., 341, 2004
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3GCK
 | | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
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4N20
 | | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.657 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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1KWB
 | | Crystal structure of the His145Ala mutant of 2,3-dihydroxybipheny dioxygenase (BphC) | | Descriptor: | 2,3-Dihydroxybiphenyl dioxygenase | | Authors: | Sato, N, Uragami, Y, Nishizaki, T, Takahashi, Y, Sazaki, G, Sugimoto, K, Nonaka, T, Masai, E, Fukuda, M, Senda, T. | | Deposit date: | 2002-01-29 | | Release date: | 2003-01-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of the Reaction Intermediate and its Homologue of an Extradiol-cleaving Catecholic Dioxygenase
J.Mol.Biol., 321, 2002
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4N1B
 | | STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | | Deposit date: | 2013-10-03 | | Release date: | 2014-02-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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1KWG
 | | Crystal structure of Thermus thermophilus A4 beta-galactosidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-GALACTOSIDASE, ... | | Authors: | Hidaka, M, Fushinobu, S, Ohtsu, N, Motoshima, H, Matsuzawa, H, Shoun, H, Wakagi, T. | | Deposit date: | 2002-01-29 | | Release date: | 2002-09-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Trimeric Crystal Structure of the Glycoside Hydrolase Family 42 beta-Galactosidase from Thermus thermophilus A4 and the Structure of its Complex with Galactose
J.MOL.BIOL., 322, 2002
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3S8B
 | | Structure of Yeast Ribonucleotide Reductase 1 with AMPPNP and CDP | | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D. | | Deposit date: | 2011-05-27 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published
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4Q1H
 | | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Polyketide biosynthesis enoyl-CoA isomerase PksI, ... | | Authors: | Nair, A.V, Race, P.R, Till, M. | | Deposit date: | 2014-04-03 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
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4IFG
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-14 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
To be Published
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3G0X
 | | Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5 | | Descriptor: | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Davies, M, Heikkila, T, McConkey, G.A, Fishwick, C.W.G, Parsons, M.R, Johnson, A.P. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases
J.Med.Chem., 52, 2009
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3EM6
 | | Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Royer, C.J, King, N.M, Prabu-Jeyabalan, M, Ng, C, Nalivaika, E.A, Schiffer, C.A. | | Deposit date: | 2008-09-23 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic and structural studies on atazanavir specific I50L drug-resistant HIV-1 protease mutant.
To be Published
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4PWK
 | | Crystal structure of V30M mutant human transthyretin complexed with dihydroguaiaretic acid | | Descriptor: | 4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol), Transthyretin | | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | | Deposit date: | 2014-03-20 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin
J.Med.Chem., 57, 2014
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1KWC
 | | The His145Ala mutant of 2,3-dihydroxybiphenyl dioxygenase in complex with 2,3-dihydroxybiphenyl | | Descriptor: | 2,3-dihydroxybiphenyl dioxygenase, BIPHENYL-2,3-DIOL | | Authors: | Sato, N, Uragami, Y, Nishizaki, T, Takahashi, Y, Sazaki, G, Sugimoto, K, Nonaka, T, Masai, E, Fukuda, M, Senda, T. | | Deposit date: | 2002-01-29 | | Release date: | 2003-01-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of the Reaction Intermediate and its Homologue of an Extradiol-cleaving Catecholic Dioxygenase
J.Mol.Biol., 321, 2002
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3RXE
 | | Crystal structure of Trypsin complexed with benzamide | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXR
 | | Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment) | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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4IGT
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist ZA302 at 1.24A resolution | | Descriptor: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, GLYCEROL, Glutamate receptor 2, ... | | Authors: | Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K. | | Deposit date: | 2012-12-18 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013
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1KU3
 | | Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment, Region 4 | | Descriptor: | sigma factor sigA | | Authors: | Campbell, E.A, Muzzin, O, Chlenov, M, Sun, J.L, Olson, C.A, Weinman, O, Trester-Zedlitz, M.L, Darst, S.A. | | Deposit date: | 2002-01-21 | | Release date: | 2002-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the bacterial RNA polymerase promoter specificity sigma subunit.
Mol.Cell, 9, 2002
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4Q3A
 | | PylD cocrystallized with L-Lysine-Ne-3S-methyl-L-ornithine and NAD+ | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | | Deposit date: | 2014-04-11 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 53, 2014
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4IB9
 | | Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) | | Descriptor: | DODECANE-TRIMETHYLAMINE, GLYCEROL, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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