5B6X
 
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 760 ns after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-06-02 | | Release date: | 2016-12-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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1N1J
 | | Crystal structure of the NF-YB/NF-YC histone pair | | Descriptor: | NF-YB, NF-YC | | Authors: | Romier, C, Cocchiarella, F, Mantovani, R, Moras, D. | | Deposit date: | 2002-10-18 | | Release date: | 2003-02-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The NF-YB/NF-YC structure gives insight into DNA binding and transcription regulation by CCAAT factor NF-Y
J.Biol.Chem., 278, 2003
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5ARG
 | | SMYD2 in complex with SGC probe BAY-598 | | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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3U5M
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1N29
 | | Crystal structure of the N1A mutant of human group IIA phospholipase A2 | | Descriptor: | CALCIUM ION, Phospholipase A2, membrane associated | | Authors: | Edwards, S.H, Thompson, D, Baker, S.F, Wood, S.P, Wilton, D.C. | | Deposit date: | 2002-10-22 | | Release date: | 2003-10-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of the H48Q active site mutant of human group IIA secreted phospholipase A2 at 1.5 A resolution provides an insight into the catalytic mechanism
Biochemistry, 41, 2002
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4Q3N
 | | Crystal structure of MGS-M5, a lactate dehydrogenase enzyme from a Medee basin deep-sea metagenome library | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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4Q3W
 | | Crystal structure of C. violaceum phenylalanine hydroxylase D139E mutation | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phenylalanine-4-hydroxylase | | Authors: | Ronau, J.A, Abu-Omar, M.M, Das, C. | | Deposit date: | 2014-04-12 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A conserved acidic residue in phenylalanine hydroxylase contributes to cofactor affinity and catalysis.
Biochemistry, 53, 2014
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4Q3O
 | | Crystal structure of MGS-MT1, an alpha/beta hydrolase enzyme from a Lake Matapan deep-sea metagenome library | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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4Q4P
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | | Descriptor: | 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-04-15 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
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4Q3X
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4Q42
 | | Crystal structure of Schistosoma mansoni arginase in complex with L-ornithine | | Descriptor: | Arginase, GLYCEROL, L-ornithine, ... | | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | | Deposit date: | 2014-04-12 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
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3U87
 | | Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | | Deposit date: | 2011-10-16 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Acta Crystallogr.,Sect.D, 68, 2012
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4Q4L
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4E5N
 | | Thermostable phosphite dehydrogenase in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase | | Authors: | Zou, Y, Zhang, H, Nair, S.K. | | Deposit date: | 2012-03-14 | | Release date: | 2012-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
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3TLL
 | | tRNA-Guanine Transglycosylase in complex with N-Ethyl-lin-benzoguanine Inhibitor | | Descriptor: | 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Klebe, G, Immekus, F, Heine, A. | | Deposit date: | 2011-08-30 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
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5BUV
 | | X-ray structure of WbcA from Yersinia enterocolitica | | Descriptor: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, PHOSPHATE ION, ... | | Authors: | Holden, H.M, Salinger, A.J, Brown, H.A, Thoden, J.B. | | Deposit date: | 2015-06-04 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical studies on WbcA, a sugar epimerase from Yersinia enterocolitica.
Protein Sci., 24, 2015
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3U8P
 | | Cytochrome b562 integral fusion with EGFP | | Descriptor: | Cytochrome b562 integral fusion with enhanced green fluorescent protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Arpino, J, Czapinska, H, Piasecka, A, Edwards, W.R, Barker, P, Gajda, M, Bochtler, M, Jones, D.D. | | Deposit date: | 2011-10-17 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for efficient chromophore communication and energy transfer in a constructed didomain protein scaffold.
J.Am.Chem.Soc., 134, 2012
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3U98
 | | Human Thrombin In Complex With MI001 | | Descriptor: | (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-10-18 | | Release date: | 2012-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Thrombin Inhibition
To be Published
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5AYZ
 | | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE | | Descriptor: | NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating] | | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
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2Z9X
 | | Crystal structure of pyridoxamine-pyruvate aminotransferase complexed with pyridoxyl-L-alanine | | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, ALANINE, Aspartate aminotransferase, ... | | Authors: | Yoshikane, Y, Yokochi, N, Yamasaki, M, Mizutani, K, Ohnishi, K, Mikami, B, Hayashi, H, Yagi, T. | | Deposit date: | 2007-09-26 | | Release date: | 2007-11-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of pyridoxamine-pyruvate aminotransferase from Mesorhizobium loti MAFF303099
J.Biol.Chem., 283, 2008
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4E8R
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4EQY
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4QAG
 | | Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase | | Descriptor: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H | | Authors: | Himmel, D.M, Ho, W.C, Arnold, E. | | Deposit date: | 2014-05-04 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.712 Å) | | Cite: | Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
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4OME
 | | X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety | | Descriptor: | (S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Ptacek, J, Novakova, Z, Byun, Y. | | Deposit date: | 2014-01-27 | | Release date: | 2015-02-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety
To be Published
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3TSR
 | | X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ... | | Authors: | Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N. | | Deposit date: | 2011-09-13 | | Release date: | 2012-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1999 Å) | | Cite: | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
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