1NDY
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![BU of 1ndy by Molmil](/molmil-images/mine/1ndy) | Crystal Structure of Adenosine Deaminase Complexed with FR230513 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDW
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![BU of 1ndw by Molmil](/molmil-images/mine/1ndw) | Crystal Structure of Adenosine Deaminase Complexed with FR221647 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1ZUD
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![BU of 1zud by Molmil](/molmil-images/mine/1zud) | Structure of ThiS-ThiF protein complex | Descriptor: | Adenylyltransferase thiF, CALCIUM ION, SODIUM ION, ... | Authors: | Ealick, S.E, Lehmann, C. | Deposit date: | 2005-05-30 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the Escherichia coli ThiS-ThiF Complex, a Key Component of the Sulfur Transfer System in Thiamin Biosynthesis. Biochemistry, 45, 2006
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3RPH
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![BU of 3rph by Molmil](/molmil-images/mine/3rph) | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-26 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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1NDV
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![BU of 1ndv by Molmil](/molmil-images/mine/1ndv) | Crystal Structure of Adenosine Deaminase complexed with FR117016 | Descriptor: | Adenosine deaminase, N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDZ
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![BU of 1ndz by Molmil](/molmil-images/mine/1ndz) | Crystal Structure of Adenosine Deaminase Complexed with FR235999 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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3TLZ
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6IRR
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![BU of 6irr by Molmil](/molmil-images/mine/6irr) | Solution structure of DISC1/ATF4 complex | Descriptor: | Disrupted in schizophrenia 1 homolog,Cyclic AMP-dependent transcription factor ATF-4 | Authors: | Ye, F, Yu, C, Zhang, M. | Deposit date: | 2018-11-14 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural interaction between DISC1 and ATF4 underlying transcriptional and synaptic dysregulation in an iPSC model of mental disorders. Mol. Psychiatry, 2019
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3O0M
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2V0C
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![BU of 2v0c by Molmil](/molmil-images/mine/2v0c) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE In the synthetic site and an adduct of AMP with 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690) in the editing site | Descriptor: | AMINOACYL-TRNA SYNTHETASE, LEUCINE, SULFATE ION, ... | Authors: | Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K. | Deposit date: | 2007-05-14 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site. Science, 316, 2007
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4H2V
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![BU of 4h2v by Molmil](/molmil-images/mine/4h2v) | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with glycylated carrier protein | Descriptor: | 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2013-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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3N8H
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![BU of 3n8h by Molmil](/molmil-images/mine/3n8h) | Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis | Descriptor: | ACETIC ACID, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | Authors: | Maltseva, N, Kim, Y, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-28 | Release date: | 2010-06-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis To be Published, 2010
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1GA7
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![BU of 1ga7 by Molmil](/molmil-images/mine/1ga7) | CRYSTAL STRUCTURE OF THE ADP-RIBOSE PYROPHOSPHATASE IN COMPLEX WITH GD+3 | Descriptor: | GADOLINIUM ION, HYPOTHETICAL 23.7 KDA PROTEIN IN ICC-TOLC INTERGENIC REGION | Authors: | Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M. | Deposit date: | 2000-11-29 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family. Nat.Struct.Biol., 8, 2001
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2XAN
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![BU of 2xan by Molmil](/molmil-images/mine/2xan) | inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with AMP PNP and IP5 | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MAGNESIUM ION, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ... | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.USA, 107, 2010
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3P4E
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![BU of 3p4e by Molmil](/molmil-images/mine/3p4e) | Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ... | Authors: | Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-10-06 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae. To be Published
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2VSO
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![BU of 2vso by Molmil](/molmil-images/mine/2vso) | Crystal Structure of a Translation Initiation Complex | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT RNA HELICASE EIF4A, EUKARYOTIC INITIATION FACTOR 4F SUBUNIT P150 | Authors: | Schutz, P, Bumann, M, Oberholzer, A.E, Bieniossek, C, Altmann, M, Trachsel, H, Baumann, U. | Deposit date: | 2008-04-28 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Yeast Eif4A-Eif4G Complex: An RNA-Helicase Controlled by Protein-Protein Interactions. Proc.Natl.Acad.Sci.USA, 105, 2008
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5OW0
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![BU of 5ow0 by Molmil](/molmil-images/mine/5ow0) | Crystal structure of an electron transfer flavoprotein from Geobacter metallireducens | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein, alpha subunit, ... | Authors: | Essen, L.-O, Vogt, M.S, Heider, J, Koelzer, S, Peschke, P, Chowdhury, N.P, Schuehle, K, Kleinsorge, D. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2019-09-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of an electron transfer flavoprotein involved in toluene degradation in strictly anaerobic bacteria. J.Bacteriol., 2019
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1GG8
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![BU of 1gg8 by Molmil](/molmil-images/mine/1gg8) | DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS | Descriptor: | ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | Authors: | Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C. | Deposit date: | 2000-07-30 | Release date: | 2000-08-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds. Biochemistry, 33, 1994
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1FX2
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![BU of 1fx2 by Molmil](/molmil-images/mine/1fx2) | |
3L9N
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![BU of 3l9n by Molmil](/molmil-images/mine/3l9n) | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | Descriptor: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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3L9L
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![BU of 3l9l by Molmil](/molmil-images/mine/3l9l) | Crystal structure of pka with compound 36 | Descriptor: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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6PJX
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![BU of 6pjx by Molmil](/molmil-images/mine/6pjx) | Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (CaM) | Descriptor: | CALCIUM ION, Calmodulin, G protein-coupled receptor kinase 5, ... | Authors: | Bhardwaj, A, Komolov, K.E, Sulon, S, Benovic, J.L. | Deposit date: | 2019-06-28 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting. Mol.Cell, 81, 2021
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6CPU
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![BU of 6cpu by Molmil](/molmil-images/mine/6cpu) | Crystal structure of yeast caPDE2 | Descriptor: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | Authors: | Ke, H, Wang, y. | Deposit date: | 2018-03-14 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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6CPT
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![BU of 6cpt by Molmil](/molmil-images/mine/6cpt) | crystal structure of yeast caPDE2 in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ... | Authors: | Ke, h, Wang, Y. | Deposit date: | 2018-03-14 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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8G9E
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![BU of 8g9e by Molmil](/molmil-images/mine/8g9e) | |