2ZJT
 
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1S99
 | | The structure and function of B. subtilis YkoF gene product: ligand free protein | | Descriptor: | ACETATE ION, CALCIUM ION, ykoF | | Authors: | Devedjiev, Y, Surendranath, Y, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2004-02-04 | | Release date: | 2004-10-05 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Structure and Ligand Binding Properties of the B.subtilis YkoF Gene Product, a Member of a Novel Family of Thiamin/HMP-binding Proteins
J.Mol.Biol., 343, 2004
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4G3O
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1S9A
 | | Crystal Structure of 4-Chlorocatechol 1,2-dioxygenase from Rhodococcus opacus 1CP | | Descriptor: | (1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE, BENZOIC ACID, Chlorocatechol 1,2-dioxygenase, ... | | Authors: | Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F. | | Deposit date: | 2004-02-04 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of 4-chlorocatechol 1,2-dioxygenase from the chlorophenol-utilizing gram-positive Rhodococcus opacus 1CP.
J.Biol.Chem., 279, 2004
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1XOC
 | | The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide. | | Descriptor: | Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION | | Authors: | Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
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1ESL
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7PTQ
 | | RNA origami 5-helix tile | | Descriptor: | Chains: C | | Authors: | McRae, E.K.S, Andersen, E.S. | | Deposit date: | 2021-09-27 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.08 Å) | | Cite: | Structure, folding and flexibility of co-transcriptional RNA origami.
Nat Nanotechnol, 18, 2023
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7PTS
 | | RNA origami 5-helix tile | | Descriptor: | 5HT-B | | Authors: | McRae, E.K.S, Andersen, E.S. | | Deposit date: | 2021-09-27 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (5.71 Å) | | Cite: | Structure, folding and flexibility of co-transcriptional RNA origami.
Nat Nanotechnol, 18, 2023
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2R3D
 | | Ricin A-chain (recombinant) complex with Acetamide | | Descriptor: | ACETAMIDE, Ricin A chain (EC 3.2.2.22), SULFATE ION | | Authors: | Carra, J.H, McHugh, C.A, Mulligan, S, Machiesky, L.M, Soares, A.S, Millard, C.B. | | Deposit date: | 2007-08-29 | | Release date: | 2007-11-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Fragment-based identification of determinants of conformational and
spectroscopic change at the ricin active site
BMC Struct.Biol., 7, 2007
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7QDU
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7QDP
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6U98
 | | Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 6 | | Descriptor: | 3-{[(3R)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha, POTASSIUM ION, ... | | Authors: | Cuesta, A, Wan, X, Taunton, J. | | Deposit date: | 2019-09-06 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
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6U9B
 | | Hsp90a NTD covalently bound to sulfonyl fluoride 5 at K58 | | Descriptor: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha | | Authors: | Cuesta, A, Wan, X, Taunton, J. | | Deposit date: | 2019-09-07 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
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6U99
 | | Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58 | | Descriptor: | 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid, Heat shock protein HSP 90-alpha | | Authors: | Cuesta, A, Wan, X, Taunton, J. | | Deposit date: | 2019-09-06 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
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1CBV
 | | AN AUTOANTIBODY TO SINGLE-STRANDED DNA: COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF THE UNLIGANDED FAB AND A DEOXYNUCLEOTIDE-FAB COMPLEX | | Descriptor: | DNA (5'-D(*TP*TP*T)-3'), PROTEIN (FAB (BV04-01) AUTOANTIBODY-HEAVY CHAIN), PROTEIN (FAB (BV04-01) AUTOANTIBODY-LIGHT CHAIN) | | Authors: | Herron, J.N, He, X.M, Ballard, D.W, Blier, P.R, Pace, P.E, Bothwell, A.L.M, Voss Junior, E.W, Edmundson, A.B. | | Deposit date: | 1993-03-16 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | An autoantibody to single-stranded DNA: comparison of the three-dimensional structures of the unliganded Fab and a deoxynucleotide-Fab complex.
Proteins, 11, 1991
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4K8B
 | | Crystal structure of HCV NS3/4A protease complexed with inhibitor | | Descriptor: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, NS3 protease, Nonstructural protein, ... | | Authors: | Nar, H. | | Deposit date: | 2013-04-18 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease.
J.Med.Chem., 57, 2014
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6U9A
 | | Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5 | | Descriptor: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha | | Authors: | Cuesta, A, Wan, X, Taunton, J. | | Deposit date: | 2019-09-07 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
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4K95
 | | Crystal Structure of Parkin | | Descriptor: | E3 ubiquitin-protein ligase parkin, ZINC ION | | Authors: | Seirafi, M, Menade, M, Sauve, V, Kozlov, G, Trempe, J.-F, Nagar, B, Gehring, K. | | Deposit date: | 2013-04-19 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (6.499 Å) | | Cite: | Structure of parkin reveals mechanisms for ubiquitin ligase activation.
Science, 340, 2013
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8BEO
 | | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ... | | Authors: | Shaanan, B, Binshtein, E. | | Deposit date: | 2022-10-21 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
To Be Published
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1ODS
 | | Cephalosporin C deacetylase from Bacillus subtilis | | Descriptor: | CEPHALOSPORIN C DEACETYLASE, CHLORIDE ION, MAGNESIUM ION | | Authors: | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | | Deposit date: | 2003-02-20 | | Release date: | 2003-07-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003
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2P8N
 | | Ricin a-chain (recombinant) complex with adenine | | Descriptor: | ADENINE, Ricin A chain, SULFATE ION | | Authors: | Carra, J.H, Mchugh, C.A, Mulligan, S, Machiesky, L.M, Millard, C.B. | | Deposit date: | 2007-03-22 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site
BMC Struct.Biol., 7, 2007
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1RNF
 | | X-RAY CRYSTAL STRUCTURE OF UNLIGANDED HUMAN RIBONUCLEASE 4 | | Descriptor: | PROTEIN (RIBONUCLEASE 4) | | Authors: | Terzyan, S.S, Peracaula, R, De Llorens, R, Tsushima, Y, Yamada, H, Seno, M, Gomis-Rueth, F.X, Coll, M. | | Deposit date: | 1998-10-29 | | Release date: | 1999-10-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The three-dimensional structure of human RNase 4, unliganded and complexed with d(Up), reveals the basis for its uridine selectivity.
J.Mol.Biol., 285, 1999
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5C1Z
 | | Parkin (UblR0RBR) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | Deposit date: | 2015-06-15 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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1N4A
 | | The Ligand Bound Structure of E.coli BtuF, the Periplasmic Binding Protein for Vitamin B12 | | Descriptor: | CYANOCOBALAMIN, Vitamin B12 transport protein btuF | | Authors: | Karpowich, N.K, Smith, P.C, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-10-30 | | Release date: | 2003-03-11 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the BtuF periplasmic-binding protein for vitamin B12 suggest a functionally important reduction in protein mobility upon ligand binding.
J.Biol.Chem., 278, 2003
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6B4N
 | | a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands | | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-09-27 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir.
ChemMedChem, 12, 2017
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