4F1M
 
 | | Crystal Structure of the G1179S Roco4 Kinase Domain bound to AppCp from D. discoideum. | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A. | | Deposit date: | 2012-05-07 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6RLE
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | | Descriptor: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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6S12
 | | Erythromycin Resistant Staphylococcus aureus 50S ribosome (delta R88 A89 uL22). | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Halfon, Y, Matozv, D, Eyal, Z, Bashan, A, Zimmerman, E, Kjeldgaard, J, Ingmer, H, Yonath, A. | | Deposit date: | 2019-06-18 | | Release date: | 2019-08-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Exit tunnel modulation as resistance mechanism of S. aureus erythromycin resistant mutant.
Sci Rep, 9, 2019
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3ZQA
 | | CRYSTALLOGRAPHIC STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE MUTANT C286A FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH NADPH | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, BETAINE ALDEHYDE DEHYDROGENASE, ... | | Authors: | Diaz-Sanchez, A.G, Gonzalez-Segura, L, Rudino-Pinera, E, Lira-Rocha, A, Torres-Larios, A, Munoz-Clares, R.A. | | Deposit date: | 2011-06-08 | | Release date: | 2011-10-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Novel Nadph-Cysteine Covalent Adduct Found in the Active Site of an Aldehyde Dehydrogenase.
Biochem.J., 439, 2011
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3ZRM
 | | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | | Descriptor: | 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | | Authors: | Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. | | Deposit date: | 2011-06-17 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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6S3V
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant E251C/G332C | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A. | | Deposit date: | 2019-06-26 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
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4F8T
 | | Crystal Structure of the Human BTN3A3 Ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A3 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-17 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.382 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F9L
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-18 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1404 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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2HL4
 | | Crystal structure analysis of human carbonic anhydrase II in complex with a benzenesulfonamide derivative | | Descriptor: | CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Di Fiore, A, Supuran, C.T, Winum, J.-Y, Montero, J.-L, Pedone, C, Scozzafava, A, De Simone, G. | | Deposit date: | 2006-07-06 | | Release date: | 2007-05-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties
Bioorg.Med.Chem.Lett., 17, 2007
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1CY7
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3ZLJ
 | | CRYSTAL STRUCTURE OF FULL-LENGTH E.COLI DNA MISMATCH REPAIR PROTEIN MUTS D835R MUTANT IN COMPLEX WITH GT MISMATCHED DNA | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP *AP*GP*TP*GP*TP*CP*AP)-3', 5'-D(*TP*GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*TP*TP *GP*GP*CP*AP*GP*CP*TP)-3', DNA MISMATCH REPAIR PROTEIN MUTS | | Authors: | Groothuizen, F.S, Fish, A, Petoukhov, M.V, Reumer, A, Manelyte, L, Winterwerp, H.H.K, Marinus, M.G, Lebbink, J.H.G, Svergun, D.I, Friedhoff, P, Sixma, T.K. | | Deposit date: | 2013-02-01 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Using Stable Muts Dimers and Tetramers to Quantitatively Analyze DNA Mismatch Recognition and Sliding Clamp Formation.
Nucleic Acids Res., 41, 2013
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4RNO
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3ZRK
 | | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | | Descriptor: | 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | | Authors: | Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. | | Deposit date: | 2011-06-16 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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7PEL
 | | CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma | | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ... | | Authors: | Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N. | | Deposit date: | 2021-08-10 | | Release date: | 2021-08-25 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma.
Nat Commun, 11, 2020
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3RSM
 | | Crystal structure of S108C mutant of PMM/PGM | | Descriptor: | PHOSPHATE ION, Phosphomannomutase/phosphoglucomutase, ZINC ION | | Authors: | Akella, A, Anbanandam, A, Kelm, A, Wei, Y, Mehra-Chaudhary, R, Beamer, L, Van Doren, S. | | Deposit date: | 2011-05-02 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Solution NMR of a 463-residue phosphohexomutase: domain 4 mobility, substates, and phosphoryl transfer defect.
Biochemistry, 51, 2012
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6UIY
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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3ZRL
 | | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | | Descriptor: | 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | | Authors: | Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. | | Deposit date: | 2011-06-17 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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1CY4
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4DD5
 | | Biosynthetic Thiolase (ThlA1) from Clostridium difficile | | Descriptor: | Acetyl-CoA acetyltransferase | | Authors: | Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-01-18 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Biosynthetic Thiolase (ThlA1) from Clostridium difficile
To be Published
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2KDN
 | | Solution structure of PFE0790c, a putative bolA-like protein from the protozoan parasite Plasmodium falciparum. | | Descriptor: | Putative uncharacterized protein PFE0790c | | Authors: | Buchko, G.W, Yee, A, Semesi, A, Hui, R, Arrowsmith, C.H, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-01-12 | | Release date: | 2009-01-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution-state NMR structure of the putative morphogene protein BolA (PFE0790c) from Plasmodium falciparum.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4B85
 | | Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, ACETYLCHOLINESTERASE, ... | | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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4B4O
 | | Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-29 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph
To be Published
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4AV9
 | | Kluyveromyces lactis Hsv2 | | Descriptor: | SULFATE ION, SVP1-LIKE PROTEIN 2 | | Authors: | Krick, R, Busse, R.A, Scacioc, A, Stephan, M, Janshoff, A, Thumm, M, Kuhnel, K. | | Deposit date: | 2012-05-24 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Structural and Functional Characterization of the Two Phosphoinositide Binding Sites of Proppins, a Beta-Propeller Protein Family.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2B8W
 | | Crystal-structure of the N-terminal Large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with GMP/AlF4 | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Interferon-induced guanylate-binding protein 1, MAGNESIUM ION, ... | | Authors: | Ghosh, A, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C. | | Deposit date: | 2005-10-10 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Nature, 440, 2006
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6SOS
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