3DJJ
 
 | | Catalytic cycle of human glutathione reductase near 1 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Glutathione reductase, ... | | Authors: | Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A. | | Deposit date: | 2008-06-23 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Catalytic cycle of human glutathione reductase near 1 A resolution.
J.Mol.Biol., 382, 2008
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3DP7
 | | CRYSTAL STRUCTURE OF SAM-dependent methyltransferase from Bacteroides vulgatus ATCC 8482 | | Descriptor: | SAM-dependent methyltransferase | | Authors: | Malashkevich, V.N, Toro, R, Ramagopal, U, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-07-07 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | CRYSTAL STRUCTURE OF SAM-dependent methyltransferase from Bacteroides vulgatus ATCC 8482
To be Published
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3DPO
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3DK4
 | | Catalytic cycle of human glutathione reductase near 1 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, Glutathione reductase, ... | | Authors: | Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A. | | Deposit date: | 2008-06-24 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Catalytic cycle of human glutathione reductase near 1 A resolution.
J.Mol.Biol., 382, 2008
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3X42
 | | Crystal structure of copper amine oxidase from Arthrobacter globiformis in the presence of sodium bromide | | Descriptor: | BROMIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | | Deposit date: | 2015-03-10 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.875 Å) | | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
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2PS1
 | | S. cerevisiae orotate phosphoribosyltransferase complexed with orotic acid and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OROTIC ACID, ... | | Authors: | Gonzalez-Segura, L, Hurley, T.D, McClard, R.W. | | Deposit date: | 2007-05-04 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ternary complex formation and induced asymmetry in orotate phosphoribosyltransferase.
Biochemistry, 46, 2007
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3DP9
 | | Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, IODIDE ION, MTA/SAH nucleosidase | | Authors: | Ho, M, Gutierrez, J.A, Crowder, T, Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2008-07-07 | | Release date: | 2009-03-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Transition state analogs of 5'-methylthioadenosine nucleosidase disrupt quorum sensing.
Nat.Chem.Biol., 5, 2009
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2PVD
 | | Crystal srtucture of the reduced ferredoxin:thioredoxin reductase | | Descriptor: | Ferredoxin-thioredoxin reductase, catalytic chain, variable chain, ... | | Authors: | Dai, S. | | Deposit date: | 2007-05-09 | | Release date: | 2007-07-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
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2PVJ
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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3SEO
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3WYE
 | | Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+ | | Descriptor: | Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Shimegi, T, Oyama, T, Kusunoki, M, Ui, S. | | Deposit date: | 2014-08-26 | | Release date: | 2015-08-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+
To be Published
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3SEI
 | | Crystal Structure of Caskin1 Tandem SAMs | | Descriptor: | CHLORIDE ION, Caskin-1, SULFATE ION | | Authors: | Stafford, R.L, Bowie, J.U. | | Deposit date: | 2011-06-10 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tandem SAM domain structure of human Caskin1: a presynaptic, self-assembling scaffold for CASK.
Structure, 19, 2011
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3DZU
 | | Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide | | Descriptor: | (9cis)-retinoic acid, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, DNA (5'-D(*DCP*DAP*DAP*DAP*DCP*DTP*DAP*DGP*DGP*DTP*DCP*DAP*DAP*DAP*DGP*DGP*DTP*DCP*DAP*DG)-3'), ... | | Authors: | Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F. | | Deposit date: | 2008-07-30 | | Release date: | 2008-10-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA.
Nature, 456, 2008
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2PG7
 | | Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V | | Descriptor: | Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | Deposit date: | 2007-04-06 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
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3DV5
 | | Crystal structure of human beta-secretase in complex with NVP-BAV544 | | Descriptor: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2008-07-18 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
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3DVZ
 | | Crystal Structure of the Sarcin/Ricin Domain from E. coli 23 S rRNA | | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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2Q1L
 | | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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3T6F
 | | Biotin complex of Y54F core streptavidin | | Descriptor: | BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ... | | Authors: | Baugh, L, Le Trong, I, Cerutti, D.S, Mehta, N, Gulich, S, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P. | | Deposit date: | 2011-07-28 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
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2Q2T
 | | Structure of Chlorella virus DNA ligase-adenylate bound to a 5' phosphorylated nick | | Descriptor: | 5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3', 5'-D(P*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3', ... | | Authors: | Lima, C.D, Nandakumar, J, Nair, P.A, Smith, P, Shuman, S. | | Deposit date: | 2007-05-29 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for nick recognition by a minimal pluripotent DNA ligase.
Nat.Struct.Mol.Biol., 14, 2007
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3T6L
 | | Y54F mutant of core streptavidin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin | | Authors: | Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P. | | Deposit date: | 2011-07-28 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
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2PL0
 | | LCK bound to imatinib | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Jacobs, M.D. | | Deposit date: | 2007-04-18 | | Release date: | 2007-10-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Classifying protein kinase structures guides use of ligand-selectivity profiles to predict inactive conformations: Structure of lck/imatinib complex.
Proteins, 70, 2007
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3X41
 | | Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium bromide | | Descriptor: | BROMIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | | Deposit date: | 2015-03-10 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
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3DRB
 | | Crystal structure of Human Brain-type Creatine Kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase B-type, MAGNESIUM ION | | Authors: | Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
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2Q3Z
 | | Transglutaminase 2 undergoes large conformational change upon activation | | Descriptor: | Polypeptide, SULFATE ION, Transglutaminase 2 | | Authors: | Strop, P, Pinkas, D.M, Brunger, A.T, Khosla, C. | | Deposit date: | 2007-05-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transglutaminase 2 undergoes a large conformational change upon activation
Plos Biol., 5, 2007
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2PLQ
 | | Crystal structure of the amidase from geobacillus pallidus RAPc8 | | Descriptor: | Aliphatic amidase | | Authors: | Kimani, S.W, Sewell, B.T, Agarkar, V.B, Sayed, M.F, Cowan, D.A. | | Deposit date: | 2007-04-20 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The quaternary structure of the amidase from Geobacillus pallidus RAPc8 is
revealed by its crystal packing.
Acta Crystallogr.,Sect.F, 62, 2006
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