4M4O
| Crystal structure of the aptamer minE-lysozyme complex | Descriptor: | Lysozyme C, MAGNESIUM ION, RNA (59-MER), ... | Authors: | Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-07 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the aptamer minE-lysozyme complex to be published
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4M54
| The structure of the staphyloferrin B precursor biosynthetic enzyme SbnB bound to N-(1-amino-1-carboxyl-2-ethyl)-glutamic acid and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid, ... | Authors: | Kobylarz, M.J, Murphy, M.E.P. | Deposit date: | 2013-08-07 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Synthesis of L-2,3-diaminopropionic acid, a siderophore and antibiotic precursor. Chem.Biol., 21, 2014
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4LX4
| Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-07-29 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
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4XO7
| Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one | Descriptor: | 4-ANDROSTENE-3-17-DIONE, Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth. Biochem.J., 473, 2016
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4LYM
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4LYT
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7NVP
| Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | Deposit date: | 2021-03-15 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. Acs Infect Dis., 8, 2022
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4MGQ
| PbXyn10C CBM APO | Descriptor: | CALCIUM ION, Glycosyl hydrolase family 10 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2013-08-28 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes. Proc.Natl.Acad.Sci.USA, 111, 2014
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4MHB
| Structure of a putative reductase from Yersinia pestis | Descriptor: | Putative aldo/keto reductase, SULFATE ION | Authors: | Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-08-29 | Release date: | 2013-10-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of a putative reductase from Yersinia pestis To be Published
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4XFH
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7NWV
| Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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4XGX
| Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase, Y60N mutant, ADP-inhibited | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, ... | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm. Microbiologyopen, 5, 2016
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4LSW
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4LT0
| HEWL co-crystallized with Carboplatin in non-NaCl conditions: crystal 1 processed using the EVAL software package | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R. | Deposit date: | 2013-07-23 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Carboplatin binding to histidine. Acta Crystallogr.,Sect.F, 70, 2014
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4XAS
| mGluR2 ECD ligand complex | Descriptor: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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4XIO
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4XJU
| Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid | Descriptor: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | Authors: | Brear, P. | Deposit date: | 2015-01-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To be published
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4XD5
| Phosphotriesterase variant R2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ... | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | Deposit date: | 2014-12-19 | Release date: | 2015-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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4XM2
| N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus in the absence of cadmium | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | Deposit date: | 2015-01-14 | Release date: | 2015-06-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus. Acta Crystallogr.,Sect.F, 71, 2015
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4XFB
| cysteine dioxygenase variant - C93A at pH 8.0 unliganded | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION | Authors: | Driggers, C.M, Karplus, P.A. | Deposit date: | 2014-12-26 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase. J. Mol. Biol., 428, 2016
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4XN6
| Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine | Descriptor: | BENZAMIDINE, Lysozyme C | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-15 | Release date: | 2015-08-12 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XIK
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4XNN
| Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL | Authors: | Ebrahim, A, Hobdey, S.E, Podkaminer, K, Taylor II, L.E, Beckham, G.T, Decker, S.R, Himmel, M.E, Cragg, S.M, McGeehan, J.E. | Deposit date: | 2015-01-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a GH7 Family Cellobiohydrolase from Daphnia pulex To Be Published
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4M49
| Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-08-06 | Release date: | 2013-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 23, 2013
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4XLZ
| N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the presence of cadmium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | Deposit date: | 2015-01-14 | Release date: | 2015-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus. Acta Crystallogr.,Sect.F, 71, 2015
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