8V30
 
 | | Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R40C | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ... | | Authors: | Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R. | | Deposit date: | 2023-11-25 | | Release date: | 2024-05-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Molecular mechanisms linking missense ACTG2 mutations to visceral myopathy.
Sci Adv, 10, 2024
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8V2Z
 | | Cryo-EM Structure of Smooth Muscle Gamma Actin (ACTG2) Mutant R257C | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ... | | Authors: | Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R. | | Deposit date: | 2023-11-25 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R257C
To Be Published
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2Y8Q
 | | Structure of the regulatory fragment of mammalian AMPK in complex with one ADP | | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | | Authors: | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | | Deposit date: | 2011-02-09 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Mammalian Ampk and its Regulation by Adp
Nature, 472, 2011
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4FNU
 | | Crystal structure of GH36 alpha-galactosidase AgaA A355E D478A from Geobacillus stearothermophilus in complex with stachyose | | Descriptor: | Alpha-galactosidase AgaA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose | | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | | Deposit date: | 2012-06-20 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
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1VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | Descriptor: | CCDB, CHLORIDE ION | | Authors: | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | Deposit date: | 1998-04-17 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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6OYF
 | | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, ... | | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-14 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
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6EWK
 | | T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | Deposit date: | 2017-11-04 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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1W9R
 | | Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae | | Descriptor: | CHOLINE BINDING PROTEIN A | | Authors: | Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W. | | Deposit date: | 2004-10-15 | | Release date: | 2005-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae
Embo J., 24, 2005
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1UDI
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6F2C
 | | Methylglyoxal synthase MgsA from Bacillus subtilis | | Descriptor: | CHLORIDE ION, GLYCEROL, Methylglyoxal synthase | | Authors: | Dickmanns, A, Neumann, P, Ficner, R. | | Deposit date: | 2017-11-24 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for the regulatory interaction of the methylglyoxal synthase MgsA with the carbon flux regulator Crh inBacillus subtilis.
J. Biol. Chem., 293, 2018
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1TSP
 | | CRYSTAL STRUCTURE OF P22 TAILSPIKE PROTEIN: INTERDIGITATED SUBUNITS IN A THERMOSTABLE TRIMER | | Descriptor: | TAILSPIKE-PROTEIN | | Authors: | Steinbacher, S, Seckler, R, Miller, S, Steipe, B, Huber, R, Reinemer, P. | | Deposit date: | 1994-06-16 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of P22 tailspike protein: interdigitated subunits in a thermostable trimer.
Science, 265, 1994
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8UAN
 | | The crystal structure of cobalt-bound human ADO C18S C239S variant at 1.99 Angstrom | | Descriptor: | 2-aminoethanethiol dioxygenase, COBALT (II) ION, GLYCEROL | | Authors: | Liu, A, Li, J, Duan, R, Shin, I. | | Deposit date: | 2023-09-21 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex.
J.Am.Chem.Soc., 146, 2024
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6F78
 | | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | | Descriptor: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... | | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
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6F2U
 | | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | | Descriptor: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | | Deposit date: | 2017-11-27 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
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4L8E
 | | Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-06-17 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit
To be published
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4L98
 | | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C. | | Deposit date: | 2013-06-18 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
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4LB0
 | | Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline | | Descriptor: | 4-HYDROXYPROLINE, ACETATE ION, Uncharacterized protein | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-06-20 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline
To be Published
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1PCN
 | | SOLUTION STRUCTURE OF PORCINE PANCREATIC PROCOLIPASE AS DETERMINED FROM 1H HOMONUCLEAR TWO-AND THREE-DIMENSIONAL NMR | | Descriptor: | HYDROXIDE ION, PORCINE PANCREATIC PROCOLIPASE B | | Authors: | Breg, J.N, Sarda, L, Cozzone, P.J, Rugani, N, Boelens, R, Kaptein, R. | | Deposit date: | 1994-06-08 | | Release date: | 1994-12-20 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of porcine pancreatic procolipase as determined from 1H homonuclear two-dimensional and three-dimensional NMR.
Eur.J.Biochem., 227, 1995
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1RZ2
 | | 1.6A crystal structure of the protein BA4783/Q81L49 (similar to sortase B) from Bacillus anthracis. | | Descriptor: | conserved hypothetical protein BA4783 | | Authors: | Wu, R, Zhang, R, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-12-23 | | Release date: | 2004-07-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of sortase B from Staphylococcus aureus and Bacillus anthracis reveal catalytic amino acid triad in the active site.
Structure, 12, 2004
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3SNL
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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5A15
 | | Crystal structure of the BTB domain of human KCTD16 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-04-28 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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2ZIG
 | | Crystal Structure of TTHA0409, Putative DNA Modification Methylase from Thermus thermophilus HB8 | | Descriptor: | Putative modification methylase | | Authors: | Morita, R, Ishikawa, H, Nakagawa, N, Masui, R, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-02-15 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a putative DNA methylase TTHA0409 from Thermus thermophilus HB8
Proteins, 73, 2008
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8X38
 | | Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium | | Descriptor: | ACETATE ION, Decarboxylative Vanillate 1-Hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Suzuki, H, Mori, R, Ishida, T, Igarashi, K, Shimizu, M. | | Deposit date: | 2023-11-12 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium
To Be Published
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6QF7
 | | Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ... | | Authors: | Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J. | | Deposit date: | 2019-01-09 | | Release date: | 2019-06-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
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3SYX
 | | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. Northeast Structural Genomics Consortium Target HR5538B. | | Descriptor: | Sprouty-related, EVH1 domain-containing protein 1, YTTRIUM (III) ION | | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-07-18 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.453 Å) | | Cite: | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein.
To be Published
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