4Q1U
 
 | | Serum paraoxonase-1 by directed evolution with the K192Q mutation | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2014-04-04 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
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4QF4
 | | Crystal structure of Staphylococcal nuclease variant V23M at cryogenic temperature | | Descriptor: | CALCIUM ION, PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, ... | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B. | | Deposit date: | 2014-05-19 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pressure effects in proteins
To be Published
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4QHI
 | | Crystal structure of Methanocaldococcus jannaschii selecase mutant R36W | | Descriptor: | CHLORIDE ION, GLYCEROL, Uncharacterized protein MJ1213, ... | | Authors: | Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X. | | Deposit date: | 2014-05-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
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4QHJ
 | | Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F | | Descriptor: | ACETATE ION, GLYCEROL, Uncharacterized protein MJ1213, ... | | Authors: | Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X. | | Deposit date: | 2014-05-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
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1ZNT
 | | 18 NMR structures of AcAMP2-Like Peptide with non Natural Fluoroaromatic Residue (AcAMP2F18Pff/Y20Pff) complex with N,N,N-triacetylchitotriose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Aboitiz, N, Freire, F, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2005-05-12 | | Release date: | 2005-12-06 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
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4QKM
 | | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2014-06-06 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4QHG
 | | Crystal structure of Methanocaldococcus jannaschii dimeric selecase | | Descriptor: | GLYCEROL, Uncharacterized protein MJ1213, ZINC ION | | Authors: | Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X. | | Deposit date: | 2014-05-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
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4QKL
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4QHH
 | | Crystal structure of Methanocaldococcus jannaschii tetrameric selecase | | Descriptor: | GLYCEROL, SODIUM ION, Uncharacterized protein MJ1213, ... | | Authors: | Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X. | | Deposit date: | 2014-05-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
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1ZGC
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | | Descriptor: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2005-04-21 | | Release date: | 2005-08-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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1ZGB
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2005-04-21 | | Release date: | 2005-08-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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4QRH
 | | Molecular mechanism and evolution of guanylate kinase regulation by (p)ppGpp | | Descriptor: | 1,2-ETHANEDIOL, Guanylate kinase, MAGNESIUM ION, ... | | Authors: | Liu, K, Krasny, K, Myers, A.R, Satyshur, K.A, Keck, J.L, Wnag, J.D. | | Deposit date: | 2014-07-01 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular Mechanism and Evolution of Guanylate Kinase Regulation by (p)ppGpp.
Mol.Cell, 57, 2015
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4QR9
 | | Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA | | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*CP*GP*AP*TP*AP*T)-3'), High mobility group protein B1, MAGNESIUM ION | | Authors: | Sanchez-Giraldo, R, Acosta-Reyes, F.J, Malarkey, C.S, Saperas, N, Churchill, M.E.A, Campos, J.L. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two high-mobility group box domains act together to underwind and kink DNA.
Acta Crystallogr.,Sect.D, 71, 2015
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4R8N
 | | Crystal structure of Staphylococcal nuclease variant V23I/V66I/I72V/I92V at cryogenic temperature | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B. | | Deposit date: | 2014-09-02 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Cavities in proteins
To be Published
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4QYX
 | | Crystal structure of YDR533Cp | | Descriptor: | Probable chaperone protein HSP31 | | Authors: | Wilson, M.A, Amour, S.T, Collins, J.L, Ringe, D, Petsko, G.A. | | Deposit date: | 2014-07-26 | | Release date: | 2014-08-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The 1.8-A resolution crystal structure of YDR533Cp from Saccharomyces cerevisiae: A member of the DJ-1/ThiJ/PfpI superfamily.
Proc.Natl.Acad.Sci.USA, 101, 2004
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4RET
 | | Crystal structure of the Na,K-ATPase E2P-digoxin complex with bound magnesium | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Gregersen, J.L, Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U. | | Deposit date: | 2014-09-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4R3V
 | | Structure of karilysin propeptide and catalytic MMP domain | | Descriptor: | CALCIUM ION, GLYCEROL, Karilysin, ... | | Authors: | Lopez-Pelegrin, M, Ksiazek, M, Karim, A.Y, Guevara, T, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2014-08-18 | | Release date: | 2015-01-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A novel mechanism of latency in matrix metalloproteinases.
J.Biol.Chem., 290, 2015
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1ZUV
 | | 24 NMR structures of AcAMP2-Like Peptide with Phenylalanine 18 mutated to Tryptophan | | Descriptor: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2005-06-01 | | Release date: | 2005-12-06 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
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4RES
 | | Crystal structure of the Na,K-ATPase E2P-bufalin complex with bound potassium | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Laursen, M, Yatime, L, Gregersen, J.L, Nissen, P, Fedosova, N.U. | | Deposit date: | 2014-09-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.408 Å) | | Cite: | Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1ZWU
 | | 30 NMR structures of AcAMP2-like peptide with non natural beta-(2-naphthyl)-alanine residue. | | Descriptor: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 (ACMP2) | | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2005-06-06 | | Release date: | 2005-12-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues.
Chemistry, 11, 2005
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4RKL
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V66T at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Mercedes, R, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2014-10-13 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Cavities in proteins
to be published
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4S3S
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K/V23A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2015-06-19 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Buried ionizable residues
To be Published
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4TKY
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4TU9
 | | STRUCTURE OF U2AF65 VARIANT WITH BRU5G6 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DG*U)-3'), GLYCEROL, ... | | Authors: | Jenkins, J.L, McLaughlin, K.J, Agrawal, A.A, Kielkopf, C.L. | | Deposit date: | 2014-06-24 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2ACK
 | | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA | | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | | Authors: | Raves, M.L, Sussman, J.L, Harel, M, Silman, I. | | Deposit date: | 1997-10-29 | | Release date: | 1998-02-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Static Laue diffraction studies on acetylcholinesterase.
Acta Crystallogr.,Sect.D, 54, 1998
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