4RMH
 
 | | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4ROL
 | | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | | Descriptor: | 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. | | Deposit date: | 2014-10-28 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
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4RSH
 | | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2 | | Descriptor: | CHLORIDE ION, Lipolytic protein G-D-S-L family | | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-07 | | Release date: | 2014-11-19 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2
To be Published
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5JP0
 | | Bacteroides ovatus Xyloglucan PUL GH3B with bound glucose | | Descriptor: | Beta-glucosidase BoGH3B, MAGNESIUM ION, beta-D-glucopyranose | | Authors: | Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
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4RMJ
 | | Human Sirt2 in complex with ADP ribose and nicotinamide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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3HRL
 | | Crystal structure of a putative endonuclease-like protein (ngo0050) from neisseria gonorrhoeae | | Descriptor: | CHLORIDE ION, Endonuclease-Like Protein | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Cobb, G, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-06-09 | | Release date: | 2009-06-30 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of a Putative Endonuclease-Like Protein (Ngo0050) from Neisseria Gonorrhoeae
To be Published
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3BHV
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B | | Descriptor: | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | Deposit date: | 2007-11-29 | | Release date: | 2008-02-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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1WRA
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6GJC
 | | Structure of Mycobacterium tuberculosis Fatty Acid Synthase - I | | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase | | Authors: | Elad, N, Baron, S, Shakked, Z, Zimhony, O, Diskin, R. | | Deposit date: | 2018-05-16 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of Type-I Mycobacterium tuberculosis fatty acid synthase at 3.3 angstrom resolution.
Nat Commun, 9, 2018
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5JZJ
 | | Crystal structure of DCLK1-KD in complex with AMPPN | | Descriptor: | AMP PHOSPHORAMIDATE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Patel, O, Lucet, I. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
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3BFT
 | | Structure of the ligand-binding core of GluR2 in complex with the agonist (S)-TDPA at 2.25 A resolution | | Descriptor: | (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, CACODYLATE ION, CHLORIDE ION, ... | | Authors: | Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2007-11-23 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
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5JOU
 | | Bacteroides ovatus Xyloglucan PUL GH31 | | Descriptor: | 1,2-ETHANEDIOL, Alpha-xylosidase BoGH31A, NICKEL (II) ION | | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
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3B8I
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6GXV
 | | Amylase in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, A-amylase, CALCIUM ION, ... | | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | | Deposit date: | 2018-06-27 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
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6GYA
 | | Amylase in complex with branched ligand | | Descriptor: | A-amylase, CALCIUM ION, SODIUM ION, ... | | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
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4TPR
 | | Structure of Tau5 antibody Fab fragment | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, CHLORIDE ION, ... | | Authors: | Cehlar, O, Skrabana, R, Novak, M. | | Deposit date: | 2014-06-09 | | Release date: | 2015-07-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Tau5 antibody Fab fragment
To Be Published
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1UUU
 | | STRUCTURE OF AN RNA HAIRPIN LOOP WITH A 5'-CGUUUCG-3' LOOP MOTIF BY HETERONUCLEAR NMR SPECTROSCOPY AND DISTANCE GEOMETRY, 15 STRUCTURES | | Descriptor: | RNA (5'-R(*GP*GP*CP*GP*UP*AP*CP*GP*UP*UP*UP*CP*GP*UP*AP*CP*GP*CP*C)-3') | | Authors: | Sich, C, Ohlenschlager, O, Ramachandran, R, Gorlach, M, Brown, L.R. | | Deposit date: | 1997-08-12 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of an RNA hairpin loop with a 5'-CGUUUCG-3' loop motif by heteronuclear NMR spectroscopy and distance geometry.
Biochemistry, 36, 1997
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6GRV
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6GZR
 | | Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA | | Descriptor: | 5-carboxy methylrhodamine, tetramethylrhodamine aptamer | | Authors: | Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine.
Nucleic Acids Res., 48, 2020
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5JYJ
 | | Crystal structure of mouse JUNO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno | | Authors: | Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O. | | Deposit date: | 2016-05-14 | | Release date: | 2017-05-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the egg IZUMO1 receptor JUNO
To Be Published
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3B6J
 | | WrbA from Escherichia coli, NADH complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, ... | | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | | Deposit date: | 2007-10-29 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli.
J.Bacteriol., 189, 2007
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6H7W
 | | Model of retromer-Vps5 complex assembled on membrane. | | Descriptor: | Putative vacuolar protein sorting-associated protein, Vacuolar protein sorting-associated protein 26-like protein, Vacuolar protein sorting-associated protein 29, ... | | Authors: | Kovtun, O, Leneva, N, Ariotti, N, Rohan, T.S, Owen, D.J, Briggs, J.A.G, Collins, B.M. | | Deposit date: | 2018-07-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (11.4 Å) | | Cite: | Structure of the membrane-assembled retromer coat determined by cryo-electron tomography.
Nature, 561, 2018
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3H0C
 | | Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | | Authors: | Nordhoff, S, Cerezo-Galvez, S, Deppe, H, Hill, O, Lopez-Canet, M, Rummey, C, Thiemann, M, Matassa, V.G, Edwards, P.J, Feurer, A. | | Deposit date: | 2009-04-09 | | Release date: | 2009-06-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Discovery of b-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV
To be Published
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4S33
 | | ERK2 R65S mutant complexed with AMP-PNP | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Livnah, O, Karamansha, Y, Tzarum, N. | | Deposit date: | 2015-01-26 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Multiple mechanisms render Erk proteins MEK-independent
To be Published
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1V34
 | | Crystal structure of Pyrococcus horikoshii DNA primase-UTP complex | | Descriptor: | DNA primase small subunit, URIDINE 5'-TRIPHOSPHATE, ZINC ION | | Authors: | Ito, N, Nureki, O, Shirouzu, M, Yokoyama, S, Hanaoka, F, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-10-25 | | Release date: | 2004-03-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the Pyrococcus horikoshii DNA primase-UTP complex: implications for the mechanism of primer synthesis.
Genes Cells, 8, 2003
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