3DJJ
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![BU of 3djj by Molmil](/molmil-images/mine/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
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![BU of 3dp7 by Molmil](/molmil-images/mine/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
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![BU of 3dk4 by Molmil](/molmil-images/mine/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
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![BU of 3x42 by Molmil](/molmil-images/mine/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
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![BU of 2ps1 by Molmil](/molmil-images/mine/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
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![BU of 3dp9 by Molmil](/molmil-images/mine/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
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![BU of 2pvd by Molmil](/molmil-images/mine/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
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![BU of 2pvj by Molmil](/molmil-images/mine/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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![BU of 3seo by Molmil](/molmil-images/mine/3seo) | |
3WYE
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![BU of 3wye by Molmil](/molmil-images/mine/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
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![BU of 3sei by Molmil](/molmil-images/mine/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
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![BU of 3dzu by Molmil](/molmil-images/mine/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
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![BU of 2pg7 by Molmil](/molmil-images/mine/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
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![BU of 3dv5 by Molmil](/molmil-images/mine/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
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![BU of 3dvz by Molmil](/molmil-images/mine/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
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![BU of 2q1l by Molmil](/molmil-images/mine/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
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![BU of 3t6f by Molmil](/molmil-images/mine/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
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![BU of 2q2t by Molmil](/molmil-images/mine/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
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![BU of 3t6l by Molmil](/molmil-images/mine/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
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![BU of 2pl0 by Molmil](/molmil-images/mine/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
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![BU of 3x41 by Molmil](/molmil-images/mine/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
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![BU of 3drb by Molmil](/molmil-images/mine/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
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![BU of 2q3z by Molmil](/molmil-images/mine/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
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![BU of 2plq by Molmil](/molmil-images/mine/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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