7QLQ
| CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE | Descriptor: | 2-(3,4-dimethoxyphenyl)ethanamide, ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ... | Authors: | Sridhar, S, Kiema, T.R, Widersten, M, Wierenga, R.K. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj, 10, 2023
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7QP3
| Pseudogymnoascus pannorum M36 protease without the propeptide | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Phaeosphaeria nodorum M36 protease without the propeptide To Be Published
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7QU4
| Recombinant Human Fetal Hemoglobin mutant - alpha subunit mutations K11E,K56E,N78D,K90E | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit gamma-2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kettisen, K, Nyblom, M, Bulow, L. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural and oxidative investigation of a recombinant high-yielding fetal hemoglobin mutant. Front Mol Biosci, 10, 2023
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6H0H
| The ABC transporter associated binding protein from B. animalis subsp. lactis Bl-04 in complex with beta-1,6-galactobiose | Descriptor: | DI(HYDROXYETHYL)ETHER, Probable solute binding protein of ABC transporter system for sugars, TETRAETHYLENE GLYCOL, ... | Authors: | Fredslund, F, Lo Leggio, L. | Deposit date: | 2018-07-09 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Substrate preference of an ABC importer corresponds to selective growth on beta-(1,6)-galactosides inBifidobacterium animalissubsp.lactis. J.Biol.Chem., 294, 2019
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3FOZ
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6IC6
| Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | Deposit date: | 2018-12-02 | Release date: | 2019-04-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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3FSX
| Structure of tetrahydrodipicolinate N-succinyltransferase (Rv1201c; DapD) from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, MAGNESIUM ION, ... | Authors: | Schuldt, L, Weyand, S, Kefala, G, Weiss, M.S. | Deposit date: | 2009-01-12 | Release date: | 2009-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The three-dimensional Structure of a mycobacterial DapD provides insights into DapD diversity and reveals unexpected particulars about the enzymatic mechanism. J.Mol.Biol., 389, 2009
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6I93
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6IAO
| Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | Authors: | Mirza, O, Rafiq, M, Frydenvang, K. | Deposit date: | 2018-11-27 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol. Plos One, 14, 2019
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6I74
| Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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5ECY
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3D48
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5ECW
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5ELV
| Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution | Descriptor: | 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | Authors: | Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2015-11-05 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2. Biophys.J., 110, 2016
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5EJE
| Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION | Authors: | Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for ligand binding to an enzyme by a conformational selection pathway. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6H1Z
| AFGH61B WILD-TYPE | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | Authors: | Lo Leggio, L, Poulsen, J.C.N. | Deposit date: | 2018-07-12 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant. Carbohydr. Res., 469, 2018
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6HAQ
| AFGH61B WILD-TYPE COPPER LOADED | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | Authors: | Lo Leggio, L, Poulsen, J.C.N, Weihe, C.D. | Deposit date: | 2018-08-08 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant. Carbohydr. Res., 469, 2018
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5FPP
| Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6 | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | Deposit date: | 2015-12-02 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6. Proc.Natl.Acad.Sci.USA, 113, 2016
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5HHT
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2OG1
| Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400 | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, ETHANOL, GLYCEROL, ... | Authors: | Dai, S, Ke, J, Bolin, J.T. | Deposit date: | 2007-01-04 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway Biochemistry, 45, 2006
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3EXT
| Crystal structure of KGPDC from Streptococcus mutans | Descriptor: | MAGNESIUM ION, RmpD (Hexulose-6-phosphate synthase) | Authors: | Liu, X, Li, G.L, Li, L.F, Su, X.D. | Deposit date: | 2008-10-17 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans Biochem.Biophys.Res.Commun., 381, 2009
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3EJG
| Crystal structure of HCoV-229E X-domain | Descriptor: | Non-structural protein 3 | Authors: | Piotrowski, Y, Hansen, G, Hilgenfeld, R. | Deposit date: | 2008-09-18 | Release date: | 2008-09-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property. Protein Sci., 18, 2009
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5HLO
| Crystal structure of calcium and zinc-bound human S100A8 in space group C2221 | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | Authors: | Lin, H, Andersen, G.R, Yatime, L. | Deposit date: | 2016-01-15 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human S100A8 in complex with zinc and calcium. Bmc Struct.Biol., 16, 2016
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5FOQ
| Acetylcholinesterase in complex with C7653 | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A. | Deposit date: | 2015-11-25 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes. Chemistry, 22, 2016
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5FHM
| Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 A resolution | Descriptor: | (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Kastrup, J.S, Frydenvang, K, Al-musaed, A. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues. J.Med.Chem., 59, 2016
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