2WYM
 
 | | Structure of a metallo-b-lactamase | | Descriptor: | CITRATE ANION, GLYCEROL, L-ASCORBATE-6-PHOSPHATE LACTONASE ULAG, ... | | Authors: | Garces, F, Fernandez, F.J, Penya-Soler, E, Aguilar, J, Baldoma, L, Coll, M, Badia, J, Vega, M.C. | | Deposit date: | 2009-11-16 | | Release date: | 2010-04-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Architecture of the Mn(2+)Dependent Lactonase Ulag Reveals an Rnase-Like Metallo-Beta-Lactamase Fold and a Novel Quaternary Structure.
J.Mol.Biol., 398, 2010
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5QD4
 | | Crystal structure of BACE complex with BMC023 | | Descriptor: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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6GM4
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S319A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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6GM1
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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1J4Y
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6G7B
 | | Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila. | | Descriptor: | ImpA-related domain protein | | Authors: | Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | Deposit date: | 2018-04-05 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
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2B2D
 | | RNA stemloop operator from bacteriophage QBETA complexed with an N87S,E89K mutant MS2 capsid | | Descriptor: | 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP*AP*AP*GP*AP*CP*AP*GP*CP*AP*U)-3', Coat protein | | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | | Deposit date: | 2005-09-19 | | Release date: | 2006-05-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
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1R5W
 | | Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T-cell activation | | Descriptor: | H-2 class II histocompatibility antigen, E-K alpha chain, MHC H2-IE-beta, ... | | Authors: | Krogsgaard, M, Prado, N, Adams, E, He, X, Chow, D.C, Wilson, D.B, Garcia, K.C, Davis, M.M. | | Deposit date: | 2003-10-13 | | Release date: | 2004-03-02 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation
Mol.Cell, 12, 2003
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2VVO
 | | Crystal structure of Mycobacterium tuberculosis ribose-5-phosphate isomerase B in complex with alpha d-allose 6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-allopyranose, RIBOSE-5-PHOSPHATE ISOMERASE B | | Authors: | Roos, A.K, Mariano, S, Kowalinski, E, Salmon, L, Mowbray, S.L. | | Deposit date: | 2008-06-10 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | D-Ribose-5-Phosphate Isomerase B from Escherichia Coli is Also a Functional D-Allose-6-Phosphate Isomerase, While the Mycobacterium Tuberculosis Enzyme is not.
J.Mol.Biol., 382, 2008
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1XK6
 | | Crystal Structure- P1 form- of Escherichia coli Crotonobetainyl-CoA: carnitine CoA Transferase (CaiB) | | Descriptor: | Crotonobetainyl-CoA:carnitine CoA-transferase | | Authors: | Rangarajan, E.S, Li, Y, Iannuzzi, P, Cygler, M, Matte, A. | | Deposit date: | 2004-09-27 | | Release date: | 2005-03-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Escherichia coli Crotonobetainyl-CoA: Carnitine CoA-Transferase (CaiB) and Its Complexes with CoA and Carnitinyl-CoA.
Biochemistry, 44, 2005
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1YLU
 | | The structure of E. coli nitroreductase with bound acetate, crystal form 2 | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | | Deposit date: | 2005-01-19 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme.
J.Biol.Chem., 280, 2005
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1OBW
 | | STRUCTURE OF INORGANIC PYROPHOSPHATASE | | Descriptor: | INORGANIC PYROPHOSPHATASE, MAGNESIUM ION | | Authors: | Oganessyan, V.Yu, Harutyunyan, E.H, Avaeva, S.M, Oganessyan, N.N, Mather, T, Huber, R. | | Deposit date: | 1996-10-09 | | Release date: | 1997-09-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of holo inorganic pyrophosphatase from Escherichia coli at 1.9 A resolution. Mechanism of hydrolysis.
Biochemistry, 36, 1997
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2B2G
 | | MS2 Wild-type RNA stemloop complexed with an N87S mutant MS2 capsid | | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein | | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | | Deposit date: | 2005-09-19 | | Release date: | 2006-05-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
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6GM2
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282D | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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2KG8
 | | NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor | | Descriptor: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, Actinorhodin polyketide synthase acyl carrier protein | | Authors: | Crump, M.P, Evans, S.E, Williams, C, Eliza, P. | | Deposit date: | 2009-03-06 | | Release date: | 2009-04-14 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
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1PNL
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2KG6
 | | Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | | Authors: | Crump, M.P, Evans, S.E, Eliza, P, Christopher, W. | | Deposit date: | 2009-03-06 | | Release date: | 2009-04-14 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
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1E4Y
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1YLR
 | | The structure of E.coli nitroreductase with bound acetate, crystal form 1 | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | | Deposit date: | 2005-01-19 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme.
J.Biol.Chem., 280, 2005
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1EGO
 | | NMR STRUCTURE OF OXIDIZED ESCHERICHIA COLI GLUTAREDOXIN: COMPARISON WITH REDUCED E. COLI GLUTAREDOXIN AND FUNCTIONALLY RELATED PROTEINS | | Descriptor: | GLUTAREDOXIN | | Authors: | Xia, T.-H, Bushweller, J.H, Sodano, P, Billeter, M, Bjornberg, O, Holmgren, A, Wuthrich, K. | | Deposit date: | 1991-10-08 | | Release date: | 1993-10-31 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | NMR structure of oxidized Escherichia coli glutaredoxin: comparison with reduced E. coli glutaredoxin and functionally related proteins.
Protein Sci., 1, 1992
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4FUA
 | | L-FUCULOSE-1-PHOSPHATE ALDOLASE COMPLEX WITH PGH | | Descriptor: | BETA-MERCAPTOETHANOL, L-FUCULOSE-1-PHOSPHATE ALDOLASE, PHOSPHOGLYCOLOHYDROXAMIC ACID, ... | | Authors: | Dreyer, M.K, Schulz, G.E. | | Deposit date: | 1996-02-14 | | Release date: | 1996-10-14 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Catalytic mechanism of the metal-dependent fuculose aldolase from Escherichia coli as derived from the structure.
J.Mol.Biol., 259, 1996
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4GOL
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4GOO
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3BOX
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg | | Descriptor: | L-rhamnonate dehydratase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-12-18 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
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3BZA
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