4J1O
 
 | | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound l-proline betaine (substrate) | | Descriptor: | 1,1-DIMETHYL-PROLINIUM, GLYCEROL, IODIDE ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
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1L98
 | | PERTURBATION OF TRP 138 IN T4 LYSOZYME BY MUTATIONS AT GLN 105 USED TO CORRELATE CHANGES IN STRUCTURE, STABILITY, SOLVATION, AND SPECTROSCOPIC PROPERTIES | | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | | Authors: | Pjura, P, Mcintosh, L.P, Wozniak, J.A, Matthews, B.W. | | Deposit date: | 1992-07-13 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Perturbation of Trp 138 in T4 lysozyme by mutations at Gln 105 used to correlate changes in structure, stability, solvation, and spectroscopic properties.
Proteins, 15, 1993
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4Z7M
 | | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity | | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase, N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide | | Authors: | Rose, J.A, Lahiri, S.D, McKinney, D.C, Albert, R, Morningstar, M, Shapiro, A.B, Fisher, S.F, Fleming, P.R. | | Deposit date: | 2015-04-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity
To be Published
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1L00
 | | PERTURBATION OF TRP 138 IN T4 LYSOZYME BY MUTATIONS AT GLN 105 USED TO CORRELATE CHANGES IN STRUCTURE, STABILITY, SOLVATION, AND SPECTROSCOPIC PROPERTIES | | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | | Authors: | Pjura, P, Mcintosh, L.P, Wozniak, J.A, Matthews, B.W. | | Deposit date: | 1992-07-13 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Perturbation of Trp 138 in T4 lysozyme by mutations at Gln 105 used to correlate changes in structure, stability, solvation, and spectroscopic properties.
Proteins, 15, 1993
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4J09
 | | Crystal Structure of LpxA bound to RJPXD33 | | Descriptor: | 1,2-ETHANEDIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, ... | | Authors: | Jenkins, R.J, Meagher, J.L, Stuckey, J.A, Dotson, G.D. | | Deposit date: | 2013-01-30 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Recognition of Peptide RJPXD33 by Acyltransferases in Lipid A Biosynthesis.
J.Biol.Chem., 289, 2014
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2VRA
 | | Drosophila Robo IG1-2 (monoclinic form) | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ROUNDABOUT 1, SULFATE ION | | Authors: | Fukuhara, N, Howitt, J.A, Hussain, S, Hohenester, E. | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and Functional Analysis of Slit and Heparin Binding to Immunoglobulin-Like Domains 1 and 2 of Drosophila Robo
J.Biol.Chem., 283, 2008
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1L99
 | | PERTURBATION OF TRP 138 IN T4 LYSOZYME BY MUTATIONS AT GLN 105 USED TO CORRELATE CHANGES IN STRUCTURE, STABILITY, SOLVATION, AND SPECTROSCOPIC PROPERTIES | | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | | Authors: | Pjura, P, Mcintosh, L.P, Wozniak, J.A, Matthews, B.W. | | Deposit date: | 1992-07-13 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Perturbation of Trp 138 in T4 lysozyme by mutations at Gln 105 used to correlate changes in structure, stability, solvation, and spectroscopic properties.
Proteins, 15, 1993
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2WC1
 | | Three-dimensional Structure of the Nitrogen Fixation Flavodoxin (NifF) from Rhodobacter capsulatus at 2.2 A | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Perez-Dorado, I, Bittel, C, Hermoso, J.A, Cortez, N, Carrillo, N. | | Deposit date: | 2009-03-06 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural and Phylogenetic Analysis of Rhodobacter Capsulatus Niff: Uncovering General Features of Nitrogen-Fixation (Nif)-Flavodoxins.
Int.J.Mol.Sci., 14, 2013
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4IVY
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a | | Descriptor: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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1LYE
 | | DISSECTION OF HELIX CAPPING IN T4 LYSOZYME BY STRUCTURAL AND THERMODYNAMIC ANALYSIS OF SIX AMINO ACID SUBSTITUTIONS AT THR 59 | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Bell, J.A, Becktel, W.J, Sauer, U, Baase, W.A, Matthews, B.W. | | Deposit date: | 1992-08-10 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissection of helix capping in T4 lysozyme by structural and thermodynamic analysis of six amino acid substitutions at Thr 59.
Biochemistry, 31, 1992
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2VY9
 | | Molecular architecture of the stressosome, a signal integration and transduction hub | | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST | | Authors: | Marles-Wright, J, Grant, T, Delumeau, O, van Duinen, G, Firbank, S.J, Lewis, P.J, Murray, J.W, Newman, J.A, Quin, M.B, Race, P.R, Rohou, A, Tichelaar, W, van Heel, M, Lewis, R.J. | | Deposit date: | 2008-07-21 | | Release date: | 2008-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Architecture of the "Stressosome," a Signal Integration and Transduction Hub
Science, 322, 2008
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2W1I
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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4JB3
 | | Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop | | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
To be Published
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4JG0
 | | Structure of phosphoserine/threonine (pSTAb) scaffold bound to pSer peptide | | Descriptor: | Fab heavy chain, Fab light chain, PROPANOIC ACID, ... | | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
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2A8D
 | | Haemophilus influenzae beta-carbonic anhydrase complexed with bicarbonate | | Descriptor: | BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ... | | Authors: | Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Lee, J, Gareiss, P.C, Preiss, J.R. | | Deposit date: | 2005-07-07 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Biochemistry, 45, 2006
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2AA2
 | | Mineralocorticoid Receptor with Bound Aldosterone | | Descriptor: | ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | | Deposit date: | 2005-07-13 | | Release date: | 2005-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
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7OVR
 | | Mature HIV-1 matrix structure | | Descriptor: | HIV-1 matrix, MYRISTIC ACID, [(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: | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | | Deposit date: | 2021-06-15 | | Release date: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Maturation of the matrix and viral membrane of HIV-1.
Science, 373, 2021
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2A8C
 | | Haemophilus influenzae beta-carbonic anhydrase | | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION | | Authors: | Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Lee, J, Gareiss, P.C, Preiss, J.R. | | Deposit date: | 2005-07-07 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Biochemistry, 45, 2006
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2A8W
 | | Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with Beta-Methyllactoside | | Descriptor: | CHLORIDE ION, Histo-blood group ABO system transferase (NAGAT) [Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase (EC 2.4.1.40) (Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase) (Histo-blood group A transferase) (A transferase); Glycoprotein-fucosylgalactoside alpha- galactosyltransferase (EC 2.4.1.37) (Fucosylglycoprotein 3-alpha- galactosyltransferase) (Histo-blood group B transferase) (B transferase)] [Contains: Fucosylglycoprotein alpha-N- acetylgalactosaminyltransferase, soluble form], ... | | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | | Deposit date: | 2005-07-09 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
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7OVQ
 | | Immature HIV-1 matrix structure | | Descriptor: | Gag polyprotein, MYRISTIC ACID | | Authors: | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | | Deposit date: | 2021-06-15 | | Release date: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Maturation of the matrix and viral membrane of HIV-1.
Science, 373, 2021
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1LYG
 | | DISSECTION OF HELIX CAPPING IN T4 LYSOZYME BY STRUCTURAL AND THERMODYNAMIC ANALYSIS OF SIX AMINO ACID SUBSTITUTIONS AT THR 59 | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Bell, J.A, Becktel, W.J, Sauer, U, Baase, W.A, Matthews, B.W. | | Deposit date: | 1992-08-10 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissection of helix capping in T4 lysozyme by structural and thermodynamic analysis of six amino acid substitutions at Thr 59.
Biochemistry, 31, 1992
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1LYI
 | | DISSECTION OF HELIX CAPPING IN T4 LYSOZYME BY STRUCTURAL AND THERMODYNAMIC ANALYSIS OF SIX AMINO ACID SUBSTITUTIONS AT THR 59 | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Bell, J.A, Becktel, W.J, Sauer, U, Baase, W.A, Matthews, B.W. | | Deposit date: | 1992-08-10 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dissection of helix capping in T4 lysozyme by structural and thermodynamic analysis of six amino acid substitutions at Thr 59.
Biochemistry, 31, 1992
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4JCI
 | | Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), SPACE GROUP P212121, unliganded | | Descriptor: | Proline racemase, SODIUM ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-21 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), space group P212121, unliganded
To be Published
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2WCH
 | | Structure of BMori GOBP2 (General Odorant Binding Protein 2) with bombykal | | Descriptor: | (10E,12Z)-hexadeca-10,12-dienal, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | | Deposit date: | 2009-03-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
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2WAB
 | | Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase | | Descriptor: | ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ... | | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | | Deposit date: | 2009-02-04 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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