2Q8M
 
 | | T-like Fructose-1,6-bisphosphatase from Escherichia coli with AMP, Glucose 6-phosphate, and Fructose 1,6-bisphosphate bound | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Hines, J.K, Kruesel, C.E, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of Inhibited Fructose-1,6-bisphosphatase from Escherichia coli: DISTINCT ALLOSTERIC INHIBITION SITES FOR AMP AND GLUCOSE 6-PHOSPHATE AND THE CHARACTERIZATION OF A GLUCONEOGENIC SWITCH.
J.Biol.Chem., 282, 2007
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3FLE
 | | SE_1780 protein of unknown function from Staphylococcus epidermidis. | | Descriptor: | SE_1780 protein | | Authors: | Osipiuk, J, Hatzos, C, Clancy, S, Kim, Y, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-12-18 | | Release date: | 2009-01-13 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | X-ray crystal structure of SE_1780 protein of unknown function from Staphylococcus epidermidis.
To be Published
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3QDG
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3UPX
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3FON
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFEAI | | Descriptor: | Beta-2-microglobulin, MHC, Peptide | | Authors: | Malashkevich, V.N, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Brims, D.R, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect.
Int.Immunol., 22, 2010
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3UTH
 | | Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with substrate UDP-Galp in reduced state | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Dhatwalia, R, Singh, H, Tanner, J.J. | | Deposit date: | 2011-11-25 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
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3FKV
 | | AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) | | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Chen, Y, McReynolds, A, Shoichet, B.K. | | Deposit date: | 2008-12-17 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
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3UZY
 | | Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and 5beta-dihydrotestosterone | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, CHLORIDE ION, ... | | Authors: | Chen, M, Christianson, D.W, Penning, T.M. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.832 Å) | | Cite: | Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
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3QLD
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3V3H
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2QAB
 | | Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound | | Descriptor: | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2 | | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | | Deposit date: | 2007-06-14 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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3V3W
 | | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol
to be published
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3V4B
 | | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate | | Descriptor: | CHLORIDE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-12-14 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate
to be published
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3QPP
 | | Structure of PDE10-inhibitor complex | | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Pandit, J, Marr, E.S. | | Deposit date: | 2011-02-14 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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3V5Z
 | | Structure of FBXL5 hemerythrin domain, C2 cell, grown anaerobically | | Descriptor: | F-box/LRR-repeat protein 5, MU-OXO-DIIRON | | Authors: | Tomchick, D.R, Bruick, R.K, Thompson, J.W, Brautigam, C.A. | | Deposit date: | 2011-12-17 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1847 Å) | | Cite: | Structural and Molecular Characterization of Iron-sensing Hemerythrin-like Domain within F-box and Leucine-rich Repeat Protein 5 (FBXL5).
J.Biol.Chem., 287, 2012
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3V6G
 | | Crystal Structure of Transcriptional Regulator | | Descriptor: | PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | | Authors: | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | | Deposit date: | 2011-12-19 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
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3F92
 | | Crystal structure of ubiquitin-conjugating enzyme E2-25kDa (Huntington Interacting Protein 2) M172A mutant crystallized at pH 8.5 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | | Authors: | Wilson, R.C, Hughes, R.C, Flatt, J.W, Meehan, E.J, Ng, J.D, Twigg, P.D. | | Deposit date: | 2008-11-13 | | Release date: | 2008-11-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure of full-length ubiquitin-conjugating enzyme E2-25K (huntingtin-interacting protein 2).
Acta Crystallogr.,Sect.F, 65, 2009
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2QA6
 | | Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol | | Descriptor: | 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2 | | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | | Deposit date: | 2007-06-14 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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2QYP
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2Q2U
 | | Structure of Chlorella virus DNA ligase-product DNA complex | | Descriptor: | 5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-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', Chlorella virus DNA ligase | | 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: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for nick recognition by a minimal pluripotent DNA ligase.
Nat.Struct.Mol.Biol., 14, 2007
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3V78
 | | Crystal Structure of Transcriptional Regulator | | Descriptor: | ETHIDIUM, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | | Authors: | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | | Deposit date: | 2011-12-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
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3QPO
 | | Structure of PDE10-inhibitor complex | | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Pandit, J, Marr, E.S. | | Deposit date: | 2011-02-14 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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2PK6
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10033 | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl- L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | Authors: | Armstrong, A.A, Lafont, V, Kiso, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2007-04-17 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Compensating enthalpic and entropic changes hinder binding affinity optimization.
Chem.Biol.Drug Des., 69, 2007
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3F74
 | | Crystal structure of wild type LFA1 I domain | | Descriptor: | GLYCEROL, Integrin alpha-L, MAGNESIUM ION | | Authors: | Zhang, H, Wang, J.-H. | | Deposit date: | 2008-11-07 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
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3Q5S
 | | Crystal structure of BmrR bound to Acetylcholine | | Descriptor: | 23 bp promoter DNA, ACETYLCHOLINE, GLYCEROL, ... | | Authors: | Bachas, S, Eginton, C, Gunio, G, Wade, H. | | Deposit date: | 2010-12-29 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR.
Proc.Natl.Acad.Sci.USA, 108, 2011
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