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1NDY
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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
1NDW
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BU of 1ndw by Molmil
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
1ZUD
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BU of 1zud by Molmil
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
3RPH
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BU of 3rph by Molmil
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
1NDV
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BU of 1ndv by Molmil
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
1NDZ
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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
3TLZ
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BU of 3tlz by Molmil
Microcin C7 self immunity protein MccF mutant W186F in complex with Adenosine Monophosphate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MccF
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-08-30
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Proc.Natl.Acad.Sci.USA, 109, 2012
6IRR
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BU of 6irr by Molmil
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
3O0M
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BU of 3o0m by Molmil
Crystal structure of a ZN-bound histidine triad family protein from Mycobacterium smegmatis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-07-19
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
2V0C
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BU of 2v0c by Molmil
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
4H2V
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BU of 4h2v by Molmil
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
3N8H
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BU of 3n8h by Molmil
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
1GA7
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BU of 1ga7 by Molmil
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
2XAN
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BU of 2xan by Molmil
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
3P4E
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BU of 3p4e by Molmil
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
2VSO
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BU of 2vso by Molmil
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
5OW0
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BU of 5ow0 by Molmil
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
1GG8
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BU of 1gg8 by Molmil
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
1FX2
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BU of 1fx2 by Molmil
STRUCTURAL ANALYSIS OF ADENYLATE CYCLASES FROM TRYPANOSOMA BRUCEI IN THEIR MONOMERIC STATE
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, RECEPTOR-TYPE ADENYLATE CYCLASE GRESAG 4.1, SULFATE ION
Authors:Bieger, B, Essen, L.-O.
Deposit date:2000-09-25
Release date:2001-02-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural analysis of adenylate cyclases from Trypanosoma brucei in their monomeric state.
EMBO J., 20, 2001
3L9N
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BU of 3l9n by Molmil
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
3L9L
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BU of 3l9l by Molmil
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
6PJX
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BU of 6pjx by Molmil
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
6CPU
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BU of 6cpu by Molmil
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
6CPT
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BU of 6cpt by Molmil
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
8G9E
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BU of 8g9e by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCF2P)-IP5, an analog of 5-IP7
Descriptor: Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023

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