1PU8
 
 | | Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 1,N6-ethenoadenine | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE, 3H-IMIDAZO[2,1-I]PURINE, BETA-MERCAPTOETHANOL | | Authors: | Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T. | | Deposit date: | 2003-06-24 | | Release date: | 2003-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases
Embo J., 22, 2003
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5VI5
 | | Structure of Mycobacterium smegmatis transcription initiation complex with a full transcription bubble | | Descriptor: | 1,2-ETHANEDIOL, DNA (44-MER), DNA (49-MER), ... | | Authors: | Darst, S.A, Campbell, E.A, Lilic, M. | | Deposit date: | 2017-04-14 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures.
Nat Commun, 8, 2017
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4J5H
 | | Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site | | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, N-decanoyl-L-homoserine, ... | | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | | Deposit date: | 2013-02-08 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis.
Biochemistry, 52, 2013
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3WL7
 | | The complex structure of pOPH S172C with ligand, ACA | | Descriptor: | CITRIC ACID, Oxidized polyvinyl alcohol hydrolase, pentane-2,4-dione | | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
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4IZG
 | | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound cis-4oh-d-proline betaine (product) | | Descriptor: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium, IODIDE ION, MAGNESIUM 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: | 2013-01-29 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
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1M4S
 | | Biosynthetic thiolase, Cys89 acetylated, unliganded form | | Descriptor: | Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION | | Authors: | Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K. | | Deposit date: | 2002-07-03 | | Release date: | 2002-11-29 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The catalytic cycle of biosynthetic thiolase: A conformational
journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
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5VF5
 | | Crystal structure of the vicilin from Solanum melongena, re-refinement | | Descriptor: | ACETATE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-12-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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1YSX
 | | Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2 | | Descriptor: | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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3PSX
 | | Crystal structure of the KT2 mutant of cytochrome P450 BM3 | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-12-02 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
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1YSI
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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4MYM
 | | Crystal structure of a glyoxalase/ bleomycin resistance protein/ dioxygenase from Nocardioides | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glyoxalase/bleomycin resistance protein/dioxygenase | | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, AL Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-09-27 | | Release date: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a glyoxalase/ bleomycin resistance protein/ dioxygenase from Nocardioides.
To be Published
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3HBG
 | | Structure of recombinant Chicken Liver Sulfite Oxidase mutant C185S | | Descriptor: | HYDROXY(DIOXO)MOLYBDENUM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, Sulfite Oxidase mutant C185S | | Authors: | Qiu, J.A. | | Deposit date: | 2009-05-04 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site.
Biochemistry, 49, 2010
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3PLS
 | | RON in complex with ligand AMP-PNP | | Descriptor: | MAGNESIUM ION, Macrophage-stimulating protein receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wang, J, Steinbacher, S, Augustin, M, Schreiner, P, Epstein, D, Mulvihill, M.J, Crew, A.P. | | Deposit date: | 2010-11-15 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | The Crystal Structure of a Constitutively Active Mutant RON Kinase Suggests an Intramolecular Autophosphorylation Hypothesis
Biochemistry, 49, 2010
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3KLI
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4TOP
 | | Glycine max glutathione transferase | | Descriptor: | 2,4-D inducible glutathione S-transferase, GLUTATHIONE | | Authors: | Axarli, I, Dhavala, P, Papageorgiou, A.C. | | Deposit date: | 2014-06-06 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Comparative analysis of the structural and functional features of two homologous tau class glutathione transferases from Glycine max
To Be Published
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1ZAI
 | | Fructose-1,6-bisphosphate Schiff base intermediate in FBP aldolase from rabbit muscle | | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase A | | Authors: | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | | Deposit date: | 2005-04-06 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
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4OFZ
 | | Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi | | Descriptor: | MAGNESIUM ION, Trehalose-phosphatase | | Authors: | Farelli, J.D, Allen, K.N, Carlow, C.K.S, Dunaway-Mariano, D. | | Deposit date: | 2014-01-15 | | Release date: | 2014-07-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Trehalose-6-phosphate Phosphatase from Brugia malayi Reveals Key Design Principles for Anthelmintic Drugs.
Plos Pathog., 10, 2014
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3ES7
 | | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | | 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: | 2008-10-04 | | Release date: | 2008-10-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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1Z4V
 | | Parainfluenza Virus 5 (SV5) Hemagglutinin-Neuraminidase (HN) with ligand DANA (soaked with DANA, pH 7.0) | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yuan, P, Thompson, T.B, Wurzburg, B.A, Paterson, R.G, Lamb, R.A, Jardetzky, T.S. | | Deposit date: | 2005-03-16 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural studies of the parainfluenza virus 5 hemagglutinin-neuraminidase tetramer in complex with its receptor, sialyllactose.
Structure, 13, 2005
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1OSH
 | | A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR | | Descriptor: | Bile acid receptor, METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE | | Authors: | Downes, M, Verdecia, M.A, Roecker, A.J, Hughes, R, Hogenesch, J.B, Kast-Woelbern, H.R, Bowman, M.E, Ferrer, J.-L, Anisfeld, A.M, Edwards, P.A, Rosenfeld, J.M, Alvarez, J.G.A, Noel, J.P, Nicolaou, K.C, Evans, R.M. | | Deposit date: | 2003-03-19 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR
Mol.Cell, 11, 2003
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2O22
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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3U9I
 | | The crystal structure of Mandelate racemase/muconate lactonizing enzyme from Roseiflexus sp. | | Descriptor: | Mandelate racemase/muconate lactonizing enzyme, C-terminal domain protein, SULFATE ION | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-10-19 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of Mandelate racemase/muconate lactonizing enzyme from Roseiflexus sp.
TO BE PUBLISHED
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2O2M
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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5E17
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4JJ9
 | | Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase | | Descriptor: | 5-carboxymethyl-2-hydroxymuconate delta-isomerase, SULFATE ION | | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-07 | | Release date: | 2013-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase
To be Published
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