6J34
| Crystal Structure of maltotriose-complex of PulA from Klebsiella pneumoniae | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B. | Deposit date: | 2019-01-09 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase. Acta Crystallogr D Struct Biol, 75, 2019
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6JPH
| Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila | Descriptor: | ACETATE ION, Alginate lyase, CALCIUM ION, ... | Authors: | Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W. | Deposit date: | 2019-03-27 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39. J.Biol.Chem., 294, 2019
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1WVJ
| Exploring the GluR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-AHCP | Descriptor: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, GLYCEROL, SULFATE ION, ... | Authors: | Nielsen, B.B, Pickering, D.S, Greenwood, J.R, Brehm, L, Gajhede, M, Schousboe, A, Kastrup, J.S. | Deposit date: | 2004-12-15 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploring the GluR2 ligand-binding core in complex with the bicyclical AMPA analogue (S)-4-AHCP FEBS J., 272, 2005
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3Q0Z
| Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION | Authors: | Sheriff, S. | Deposit date: | 2010-12-16 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus. Bioorg.Med.Chem.Lett., 21, 2011
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2XD5
| Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b | Descriptor: | CHLORIDE ION, N-BENZOYL-D-ALANINE, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Macheboeuf, P, Lemaire, D, Jamin, M, Dideberg, O, Dessen, A. | Deposit date: | 2010-04-29 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae Pbp1B To be Published
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4JP2
| Crystal Structure of TT0495 protein from Thermus thermophilus HB8 | Descriptor: | 2-deoxy-D-gluconate 3-dehydrogenase | Authors: | Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V. | Deposit date: | 2013-03-19 | Release date: | 2014-03-19 | Last modified: | 2014-08-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8 Acta Crystallogr.,Sect.D, 70, 2014
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6GH3
| Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, CHLORIDE ION, ... | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy. Chembiochem, 20, 2019
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5Z03
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4JGI
| 1.5 Angstrom crystal structure of a novel cobalamin-binding protein from Desulfitobacterium hafniense DCB-2 | Descriptor: | CO-METHYLCOBALAMIN, Putative uncharacterized protein | Authors: | Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D. | Deposit date: | 2013-03-01 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the cobalamin-binding protein of a putative O-demethylase from Desulfitobacterium hafniense DCB-2. Acta Crystallogr.,Sect.D, 69, 2013
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4JP3
| Crystal Structure of TT0495 protein from Thermus thermophilus HB8 | Descriptor: | 2-deoxy-D-gluconate 3-dehydrogenase, CITRIC ACID | Authors: | Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V. | Deposit date: | 2013-03-19 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8 Acta Crystallogr.,Sect.D, 70, 2014
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9F9Y
| SARS-CoV-2 BA-2.87.1 Spike ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Ren, J, Stuart, D.I, Duyvesteyn, H.M.E. | Deposit date: | 2024-05-09 | Release date: | 2024-08-21 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Concerted deletions eliminate a neutralizing supersite in SARS-CoV-2 BA.2.87.1 spike. Structure, 32, 2024
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2VX5
| CELLVIBRIO JAPONICUS MANNANASE CJMAN26C MANNOSE-BOUND FORM | Descriptor: | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C, SODIUM ION, beta-D-mannopyranose | Authors: | Cartmell, A, Topakas, E, Ducros, V.M.-A, Suits, M.D.L, Davies, G.J, Gilbert, H.J. | Deposit date: | 2008-07-01 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Cellvibrio Japonicus Mannanase Cjman26C Displays a Unique Exo-Mode of Action that is Conferred by Subtle Changes to the Distal Region of the Active Site. J.Biol.Chem., 283, 2008
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3MXG
| Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L | Descriptor: | D-xylose, Shiga-like toxin 2 subunit B | Authors: | Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J. | Deposit date: | 2010-05-07 | Release date: | 2011-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2. Plos One, 5, 2010
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5I1N
| Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution | Descriptor: | D-Villin headpiece subdomain, Villin-1 | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | Deposit date: | 2016-02-05 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization. J.Am.Chem.Soc., 138, 2016
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7Q6E
| Beta049 fab in complex with SARS-CoV2 beta-Spike glycoprotein, The Beta mAb response underscores the antigenic distance to other SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-49 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2021-11-07 | Release date: | 2021-12-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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2W3B
| HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | Descriptor: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ... | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | Deposit date: | 2008-11-11 | Release date: | 2009-11-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published
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6DUM
| ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2018-06-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
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4H2Z
| Crystal structure of human GLTP bound with 12:0 monosulfatide | Descriptor: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE, ... | Authors: | Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L. | Deposit date: | 2012-09-13 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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6U1H
| Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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2N94
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7CT4
| Crystal structure of D-amino acid oxidase from Rasamsonia emersonii strain YA | Descriptor: | D-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Shimekake, Y, Hirato, Y, Okazaki, S, Funabashi, R, Goto, M, Furuichi, T, Suzuki, H, Takahashi, S. | Deposit date: | 2020-08-18 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure analysis of a unique D-amino-acid oxidase from the thermophilic fungus Rasamsonia emersonii strain YA. Acta Crystallogr.,Sect.F, 76, 2020
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5C5K
| Structure of the Pfr form of a canonical phytochrome | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BILIVERDINE IX ALPHA, ... | Authors: | Burgie, E.S, Vierstra, R.D. | Deposit date: | 2015-06-20 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Crystal Structure of Deinococcus Phytochrome in the Photoactivated State Reveals a Cascade of Structural Rearrangements during Photoconversion. Structure, 24, 2016
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3A3G
| Crystal structure of LumP complexed with 6,7-dimethyl-8-(1'-D-ribityl) lumazine | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Lumazine protein | Authors: | Sato, Y. | Deposit date: | 2009-06-12 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution J.Bacteriol., 192, 2009
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4MOQ
| Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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4MOH
| Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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