1N23
 
 | | (+)-Bornyl diphosphate synthase: Complex with Mg, pyrophosphate, and (1R,4S)-2-azabornane | | Descriptor: | (+)-bornyl diphosphate synthase, (1R,4S)-2-AZABORNANE, MAGNESIUM ION, ... | | Authors: | Whittington, D.A, Wise, M.L, Urbansky, M, Coates, R.M, Croteau, R.B, Christianson, D.W. | | Deposit date: | 2002-10-21 | | Release date: | 2002-11-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bornyl diphosphate synthase: Structure and strategy for carbocation manipulation by a terpenoid cyclase
Proc.Natl.Acad.Sci.USA, 99, 2002
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3DNJ
 | | The structure of the Caulobacter crescentus ClpS protease adaptor protein in complex with a N-end rule peptide | | Descriptor: | ATP-dependent Clp protease adapter protein clpS, MAGNESIUM ION, synthetic N-end rule peptide | | Authors: | Wang, K, Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A. | | Deposit date: | 2008-07-02 | | Release date: | 2008-11-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The molecular basis of N-end rule recognition.
Mol.Cell, 32, 2008
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6XAT
 | | Crystal structure of the human FoxP4 DNA binding Domain | | Descriptor: | FOXP4 protein, SODIUM ION | | Authors: | VIllalobos, P, Castro-Fernandez, V, Medina, E, Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Ramirez-Sarmiento, C.A, Babul, J. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unraveling the folding and dimerization properties of the human FoxP subfamily of transcription factors.
Febs Lett., 597, 2023
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6XIO
 | | ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS | | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, 6-O-phosphono-beta-D-fructofuranose, ADP-dependent phosphofructokinase, ... | | Authors: | Munoz, S, Gonzalez-Ordenes, F, Fuentes, N, Maturana, P, Herrera-Morande, A, Villalobos, P, Castro-Fernandez, V. | | Deposit date: | 2020-06-20 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes.
J.Biol.Chem., 296, 2020
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7Q4W
 | | CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | | Deposit date: | 2021-11-02 | | Release date: | 2023-02-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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7Q4V
 | | Electron bifurcating hydrogenase - HydABC from A. woodii | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | | Deposit date: | 2021-11-02 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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6VPB
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7R8Y
 | | Ancestral protein AncThEn of Phosphomethylpyrimidine kinases family | | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, Phosphomethylpyrimidine Kinase | | Authors: | Munoz, S, Maturana, P, Gonzalez-Ordenes, F, Cea, P, Castro-Fernandez, V. | | Deposit date: | 2021-06-27 | | Release date: | 2022-06-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Deciphering Structural Traits for Thermal and Kinetic Stability across Protein Family Evolution through Ancestral Sequence Reconstruction
Mol.Biol.Evol., 41, 2024
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4LT7
 | | Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium | | Descriptor: | CALCIUM ION, Rabphilin-3A | | Authors: | Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1YRR
 | | Crystal Structure Of The N-Acetylglucosamine-6-Phosphate Deacetylase From Escherichia Coli K12 at 2.0 A Resolution | | Descriptor: | GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, PHOSPHATE ION | | Authors: | Ferreira, F.M, Aparicio, R, Mendoza-Hernandez, G, Calcagno, M.L, Oliva, G. | | Deposit date: | 2005-02-04 | | Release date: | 2006-03-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of N-acetylglucosamine-6-phosphate deacetylase apoenzyme from Escherichia coli.
J.Mol.Biol., 359, 2006
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3UT2
 | | Crystal Structure of Fungal MagKatG2 | | Descriptor: | Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zamocky, M, Garcia-Fernandez, M.Q, Gasselhuber, B, Jakopitsch, C, Furtmuller, P.G, Loewen, P.C, Fita, I, Obinger, C, Carpena, X. | | Deposit date: | 2011-11-24 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | High Conformational Stability of Secreted Eukaryotic Catalase-peroxidases: ANSWERS FROM FIRST CRYSTAL STRUCTURE AND UNFOLDING STUDIES.
J.Biol.Chem., 287, 2012
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4NP9
 | | Structure of Rabphilin C2A domain bound to IP3 | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION | | Authors: | Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S. | | Deposit date: | 2013-11-21 | | Release date: | 2013-12-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4O53
 | | Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Leu mutant (Tvag_497370) | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Lara-Gonzalez, S, Montero-Moran, G.M, Estrella-Hernandez, P, Benitez-Cardoza, C.G, Brieba, L.G. | | Deposit date: | 2013-12-19 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering mutants with altered dimer-monomer equilibrium reveal the existence of stable monomeric Triosephosphate isomerases
To be Published
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4O57
 | | Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Tyr mutant (Tvag_497370) | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Lara-Gonzalez, S, Estrella-Hernandez, P, Montero-Moran, G.M, Benitez-Cardoza, C.G, Brieba, L.G. | | Deposit date: | 2013-12-19 | | Release date: | 2014-12-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Engineering mutants with altered dimer-monomer equilibrium reveal the existence of stable monomeric Triosephosphate isomerases
To be Published
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5AGD
 | | An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose | | Descriptor: | ALPHA-1,6-MANNANASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Chandler, E, Temple, M.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | | Deposit date: | 2015-01-29 | | Release date: | 2015-03-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
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4NS0
 | | The C2A domain of Rabphilin 3A in complex with PI(4,5)P2 | | Descriptor: | Rabphilin-3A, SULFATE ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S. | | Deposit date: | 2013-11-27 | | Release date: | 2013-12-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5A5Z
 | | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria | | Descriptor: | BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION | | Authors: | Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
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4LUR
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1MN7
 | | NDP kinase mutant (H122G;N119S;F64W) in complex with aBAZTTP | | Descriptor: | 3'-AZIDO-3'-DEOXY-THYMIDINE-5'-ALPHA BORANO TRIPHOSPHATE, MAGNESIUM ION, NDP kinase | | Authors: | gallois-montbrun, s, schneider, b, chen, y, giacomoni-fernandes, v, mulard, l, morera, s, janin, j, deville-bonne, d, veron, m. | | Deposit date: | 2002-09-05 | | Release date: | 2002-10-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Improving nucleoside diphosphate kinase for antiviral nucleotide analogs activation
J.BIOL.CHEM., 277, 2002
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1OKR
 | | Three-dimensional structure of S.aureus methicillin-resistance regulating transcriptional repressor MecI. | | Descriptor: | CHLORIDE ION, GLYCEROL, METHICILLIN RESISTANCE REGULATORY PROTEIN MECI | | Authors: | Garcia-Castellanos, R, Marrero, A, Mallorqui-Fernandez, G, Potempa, J, Coll, M, Gomis-Ruth, F.X. | | Deposit date: | 2003-07-28 | | Release date: | 2003-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three-Dimensional Structure of Meci: Molecular Basis for Transcriptional Regulation of Staphylococcal Methicillin Resistance
J.Biol.Chem., 278, 2003
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4G33
 | | Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at 2.0 A (C2221) | | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, 15S-LIPOXYGENASE, FE (II) ION, ... | | Authors: | Carpena, X, Garreta, A, Val-Moraes, S.P, Garcia-Fernandez, Q, Fita, I. | | Deposit date: | 2012-07-13 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa.
Faseb J., 27, 2013
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4G32
 | | Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at 1.75A (P21212) | | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, 15S-LIPOXYGENASE, FE (II) ION, ... | | Authors: | Carpena, X, Garreta, A, Val-Moraes, S.P, Garcia-Fernandez, Q, Fita, I. | | Deposit date: | 2012-07-13 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa.
Faseb J., 27, 2013
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4GNY
 | | Bovine beta-lactoglobulin complex with dodecyl sulfate | | Descriptor: | Beta-lactoglobulin, DODECYL SULFATE, GLYCEROL | | Authors: | Gutierrez-Magdaleno, G, Torres-Rivera, A, Garcia-Hernandez, E, Rodriguez-Romero, A. | | Deposit date: | 2012-08-17 | | Release date: | 2013-02-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6367 Å) | | Cite: | Ligand-binding and self-association cooperativity of beta-lactoglobulin
J.Mol.Recognit., 26, 2013
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6Z0C
 | | Structure of in silico modelled artificial Maquette-3 protein | | Descriptor: | Maquette-3, POTASSIUM ION | | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | | Deposit date: | 2020-05-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
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6Z35
 | | De-novo Maquette 2 protein with buried ion-pair | | Descriptor: | Maquette 2-1ip | | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | | Deposit date: | 2020-05-19 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Design of buried charged networks in artificial proteins.
Nat Commun, 12, 2021
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