6ZAK
 
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | | Descriptor: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
To Be Published
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6ZZQ
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and acetoacetate | | Descriptor: | 3-hydroxybutyrate dehydrogenase, ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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6ZZP
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate | | Descriptor: | 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-04 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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1AIJ
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | Authors: | Stowell, M.H.B, Mcphillips, T.M, Soltis, S.M, Rees, D.C, Abresch, E, Feher, G. | | Deposit date: | 1997-04-18 | | Release date: | 1997-10-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer.
Science, 276, 1997
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6ZW8
 | | Isopenicillin N synthase in complex with Cd and ACV. | | Descriptor: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-07-27 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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1BAU
 | | NMR STRUCTURE OF THE DIMER INITIATION COMPLEX OF HIV-1 GENOMIC RNA, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | SL1 RNA DIMER | | Authors: | Mujeeb, A, Clever, J.L, Billeci, T.M, James, T.L, Parslow, T.G. | | Deposit date: | 1998-04-18 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the dimer initiation complex of HIV-1 genomic RNA.
Nat.Struct.Biol., 5, 1998
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2MNH
 | | Refined structure of outer membrane protein x in nanodisc by measuring residual dipolar couplings | | Descriptor: | Outer membrane protein X | | Authors: | Bibow, S, Carneiro, M.G, Sabo, T.M, Schwiegk, C, Becker, S, Riek, R, Lee, D. | | Deposit date: | 2014-04-05 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Measuring membrane protein bond orientations in nanodiscs via residual dipolar couplings.
Protein Sci., 23, 2014
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2M2B
 | | NMR structure of the RRM2 domain of the protein RBM10 from Homo sapiens | | Descriptor: | RNA-binding protein 10 | | Authors: | Serrano, P, Geralt, M, Dutta, S.K, Wuthrich, K, Wrobel, R.L, Makino, S, Misenhiemer, T.M, Markley, J.L, Fox, B.G, Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL), Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2012-12-17 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the RRM2 domain of the protein RBM10 from Homo sapiens
To be Published
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1BIS
 | | HIV-1 INTEGRASE CORE DOMAIN | | Descriptor: | HIV-1 INTEGRASE | | Authors: | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | | Deposit date: | 1998-06-19 | | Release date: | 1998-08-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
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7ADQ
 | | Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A. | | Deposit date: | 2020-09-15 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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1AQF
 | | PYRUVATE KINASE FROM RABBIT MUSCLE WITH MG, K, AND L-PHOSPHOLACTATE | | Descriptor: | L-PHOSPHOLACTATE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Larsen, T.M, Benning, M.M, Wesenberg, G.E, Rayment, I, Reed, G.H. | | Deposit date: | 1997-07-29 | | Release date: | 1998-09-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand-induced domain movement in pyruvate kinase: structure of the enzyme from rabbit muscle with Mg2+, K+, and L-phospholactate at 2.7 A resolution.
Arch.Biochem.Biophys., 345, 1997
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7AJR
 | | Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors | | Descriptor: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ... | | Authors: | Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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1BXS
 | | SHEEP LIVER CLASS 1 ALDEHYDE DEHYDROGENASE WITH NAD BOUND | | Descriptor: | ALDEHYDE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Moore, S.A, Baker, H.M, Blythe, T.J, Kitson, K.E, Kitson, T.M, Baker, E.N. | | Deposit date: | 1998-10-08 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Sheep liver cytosolic aldehyde dehydrogenase: the structure reveals the basis for the retinal specificity of class 1 aldehyde dehydrogenases.
Structure, 6, 1998
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1BIZ
 | | HIV-1 INTEGRASE CORE DOMAIN | | Descriptor: | CACODYLATE ION, HIV-1 INTEGRASE | | Authors: | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | | Deposit date: | 1998-06-21 | | Release date: | 1998-08-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1BVH
 | | SOLUTION STRUCTURE OF A LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE | | Descriptor: | ACID PHOSPHATASE | | Authors: | Logan, T.M, Zhou, M.-M, Nettesheim, D.G, Meadows, R.P, Van Etten, R.L, Fesik, S.W. | | Deposit date: | 1994-05-03 | | Release date: | 1994-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a low molecular weight protein tyrosine phosphatase.
Biochemistry, 33, 1994
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1BVB
 | | HEME-PACKING MOTIFS REVEALED BY THE CRYSTAL STRUCTURE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA | | Descriptor: | CYTOCHROME C-554, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Iverson, T.M, Arciero, D.M, Hsu, B.T, Logan, M.S.P, Hooper, A.B, Rees, D.C. | | Deposit date: | 1998-09-16 | | Release date: | 1999-05-18 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Heme packing motifs revealed by the crystal structure of the tetra-heme cytochrome c554 from Nitrosomonas europaea.
Nat.Struct.Biol., 5, 1998
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2N60
 | | G-quadruplexes with (4n-1) guanines in the G-tetrad core: formation of a G-triad water complex and implication for small-molecule binding | | Descriptor: | DNA (5'-D(*TP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*T)-3') | | Authors: | Heddi, B, Martin-Pintado, N, Serimbetov, Z, Kari, T.M, Phan, A.T. | | Deposit date: | 2015-08-08 | | Release date: | 2016-06-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | G-quadruplexes with (4n - 1) guanines in the G-tetrad core: formation of a G-triadwater complex and implication for small-molecule binding
Nucleic Acids Res., 44, 2016
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1AIG
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE D+QB-CHARGE SEPARATED STATE | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | Authors: | Stowell, M.H.B, Mcphillips, T.M, Soltis, S.M, Rees, D.C, Abresch, E, Feher, G. | | Deposit date: | 1997-04-17 | | Release date: | 1997-10-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer.
Science, 276, 1997
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7AG5
 | | Structure of the Laspartomycin C double mutant G4D D-allo-Thr9D-Dap in complex with Geranyl phosphate | | Descriptor: | (~{E})-13-methyltetradec-2-enoic acid, CALCIUM ION, Geranyl phosphate, ... | | Authors: | Zeronian, M.R, Pearce, N.M, Wood, T.M, Martin, N.I, Janssen, B.J.C. | | Deposit date: | 2020-09-21 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Mechanistic insights into the C55-P targeting lipopeptide antibiotics revealed by structure-activity studies and high-resolution crystal structures
Chem Sci, 13, 2022
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7ANY
 | | Structure of the Laspartomycin C Friulimicin-like mutant in complex with Geranyl phosphate | | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Zeronian, M.R, Pearce, N.M, Lutz, M, Wood, T.M, Martin, N.I, Janssen, B.J.C. | | Deposit date: | 2020-10-13 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.135 Å) | | Cite: | Mechanistic insights into the C55-P targeting lipopeptide antibiotics revealed by structure-activity studies and high-resolution crystal structures
Chem Sci, 13, 2022
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1BU5
 | | X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX | | Descriptor: | PROTEIN (FLAVODOXIN), RIBOFLAVIN, SULFATE ION | | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Mccardle, P, Cunningham, P.D, Mayhew, S.G, Higgins, T.M. | | Deposit date: | 1998-09-12 | | Release date: | 1999-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | X-ray crystal structure of the Desulfovibrio vulgaris (Hildenborough) apoflavodoxin-riboflavin complex.
Eur.J.Biochem., 258, 1998
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2P37
 | | Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-3man-OMe | | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ... | | Authors: | Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W. | | Deposit date: | 2007-03-08 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
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1AFS
 | | RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE | | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE | | Authors: | Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M. | | Deposit date: | 1997-03-13 | | Release date: | 1997-10-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase.
Structure, 5, 1997
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6ZZS
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and 3-oxovalerate | | Descriptor: | 3-hydroxybutyrate dehydrogenase, 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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1BYM
 | | SOLUTION STRUCTURES OF THE C-TERMINAL DOMAIN OF DIPHTHERIA TOXIN REPRESSOR | | Descriptor: | PROTEIN (DIPHTHERIA TOXIN REPRESSOR) | | Authors: | Wang, G, Wylie, G.P, Twigg, P.D, Caspar, D.L.D, Murphy, J.R, Logan, T.M. | | Deposit date: | 1998-10-17 | | Release date: | 1998-10-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and peptide binding studies of the C-terminal src homology 3-like domain of the diphtheria toxin repressor protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
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