5NPK
 
 | | 1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA | | Descriptor: | CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | | Deposit date: | 2017-04-17 | | Release date: | 2017-07-12 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V8X
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5N10
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4R3W
 | | Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-2'-5'-DIPHOSPHATE, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-18 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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8ATI
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5TEI
 | | Structure of human ALDH1A1 with inhibitor CM039 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | | Authors: | Morgan, C.A, Hurley, T.D. | | Deposit date: | 2016-09-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human ALDH1A1 with inhibitor CM039
To Be Published
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8ARI
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5TF0
 | | Crystal Structure of Glycosil Hydrolase Family 3 N-Terminal Domain Protein from Bacteroides intestinalis | | Descriptor: | 1,2-ETHANEDIOL, Glycosyl hydrolase family 3 N-terminal domain protein, MAGNESIUM ION | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-09-23 | | Release date: | 2016-10-05 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.2021 Å) | | Cite: | Crystal Structure of Glycosil Hydrolase Family 3 N-Terminal Domain Protein from Bacteroides intestinalis
To Be Published, 2016
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8DVY
 | | DNA glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site product (AP) and crystalized with calcium acetate | | Descriptor: | ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ... | | Authors: | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | | Deposit date: | 2022-07-30 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
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8DW4
 | | Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium | | Descriptor: | ACETATE ION, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ... | | Authors: | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | | Deposit date: | 2022-07-31 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
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5T04
 | | STRUCTURE OF CONSTITUTIVELY ACTIVE NEUROTENSIN RECEPTOR | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, ARG-ARG-PRO-TYR-ILE-LEU, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Krumm, B, Botos, I, Grisshammer, R. | | Deposit date: | 2016-08-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and dynamics of a constitutively active neurotensin receptor.
Sci Rep, 6, 2016
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8AV8
 | | Small molecular stabilizer for ERalpha and 14-3-3 (1075300) | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-08-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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6C2D
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5T3P
 | | Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7 | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal coenzyme A diphosphatase NUDT7 | | Authors: | Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Kopec, J, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K. | | Deposit date: | 2016-08-26 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7
To Be Published
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8DW7
 | | DNA glycosylase MutY variant N146S in complex with DNA containing the transition state analog 1N paired with d(8-oxo-G) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ... | | Authors: | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | | Deposit date: | 2022-07-31 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
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3MM6
 | | Dissimilatory sulfite reductase cyanide complex | | Descriptor: | CYANIDE ION, IRON/SULFUR CLUSTER, SIROHEME, ... | | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2010-04-19 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
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6C3H
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8AW5
 | | Cryo-EM structure of heme A synthase trimer from Aquifex aeolicus | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Heme O oxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hui, Z, Guoliang, Z. | | Deposit date: | 2022-08-29 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structure of heme A synthase trimer from Aquifex aeolicus
To Be Published
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5T5T
 | | AMPK bound to allosteric activator | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2016-08-31 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
J. Pharmacol. Exp. Ther., 361, 2017
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1S0W
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5NDX
 | | The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Glycosyl hydrolase, SULFATE ION | | Authors: | Raich, L, Valero-Gonzalez, J, Castro-Lopez, J, Millan, C, Jimenez-Garcia, M.J, Nieto, P, Uson, I, Hurtado-Guerrero, R, Rovira, C. | | Deposit date: | 2017-03-09 | | Release date: | 2018-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent:
Crystallography and QM/MM insights into Mucopolysaccharidosis I.
To Be Published
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6C7N
 | | Monoclinic form of malic enzyme from sorghum at 2 angstroms resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Malic enzyme, ... | | Authors: | Trajtenberg, F, Alvarez, C, Buschiazzo, A. | | Deposit date: | 2018-01-23 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular adaptations of NADP-malic enzyme for its function in C4photosynthesis in grasses.
Nat.Plants, 5, 2019
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4RDZ
 | | Crystal structure of VmoLac in P64 space group | | Descriptor: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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5NE0
 | | Room temperature in-situ structure of hen egg-white lysozyme from crystals enclosed between ultrathin silicon nitride membranes | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Martiel, I, Opara, N, Arnold, S.A, Braun, T, Stahlberg, H, Makita, M, David, C, Padeste, C. | | Deposit date: | 2017-03-09 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Direct protein crystallization on ultrathin membranes for diffraction measurements at X-ray free-electron lasers.
J.Appl.Crystallogr., 50, 2017
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5NE4
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