2B4B
 
 | | SSAT+COA+BE-3-3-3, K26R mutant | | Descriptor: | COENZYME A, Diamine acetyltransferase 1, N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE | | Authors: | Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2005-09-23 | | Release date: | 2006-01-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4DZ5
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2B87
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2AL3
 | | Solution structure and backbone dynamics of an N-terminal ubiquitin-like domain in the GLUT4-tethering protein, TUG | | Descriptor: | TUG long isoform | | Authors: | Tettamanzi, M.C, Yu, C, Bogan, J.S, Hodsdon, M.E. | | Deposit date: | 2005-08-04 | | Release date: | 2006-03-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of an N-terminal ubiquitin-like domain in the GLUT4-regulating protein, TUG.
Protein Sci., 15, 2006
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2HF0
 | | Bifidobacterium longum bile salt hydrolase | | Descriptor: | Bile salt hydrolase | | Authors: | Suresh, C.G, Kumar, R.S, Brannigan, J.A. | | Deposit date: | 2006-06-22 | | Release date: | 2006-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Functional Analysis of a Conjugated Bile Salt Hydrolase from Bifidobacterium longum Reveals an Evolutionary Relationship with Penicillin V Acylase.
J.Biol.Chem., 281, 2006
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1IL2
 | | Crystal Structure of the E. coli Aspartyl-tRNA Synthetase:Yeast tRNAasp:aspartyl-Adenylate Complex | | Descriptor: | ASPARTYL TRANSFER RNA, ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE, ASPARTYL-TRNA SYNTHETASE, ... | | Authors: | Moulinier, L, Eiler, S, Eriani, G, Gangloff, J, Thierry, J.C, Gabriel, K, McClain, W.H, Moras, D. | | Deposit date: | 2001-05-07 | | Release date: | 2001-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of an AspRS-tRNA(Asp) complex reveals a tRNA-dependent control mechanism.
EMBO J., 20, 2001
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1ITZ
 | | Maize Transketolase in complex with TPP | | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase | | Authors: | Gerhardt, S, Echt, S, Bader, G, Freigang, J, Busch, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-15 | | Release date: | 2003-02-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and properties of an engineered transketolase from maize
PLANT PHYSIOL., 132, 2003
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4JTR
 | | AKR1C2 complex with ibuprofen | | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2013-03-24 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis of NSAID selectivity for the AKR1C family
To be Published
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4JQ2
 | | AKR1C2 complex with sulindac | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ... | | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
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4JQ3
 | | AKR1C2 complex with zomepirac | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ... | | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
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4JQ4
 | | AKR1C2 complex with indomethacin | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, INDOMETHACIN, ... | | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
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4JQA
 | | AKR1C2 complex with mefenamic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C2, ... | | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2013-03-20 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
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4JTQ
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4JQ1
 | | AKR1C2 complex with naproxen | | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
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1LJR
 | | GLUTATHIONE TRANSFERASE (HGST T2-2) FROM HUMAN | | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | | Deposit date: | 1998-03-08 | | Release date: | 1999-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
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3UWE
 | | AKR1C3 complexed with 3-phenoxybenzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ... | | Authors: | Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2011-12-01 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of AKR1C3 with 3-phenoxybenzoic acid bound
Acta Crystallogr.,Sect.F, 68, 2012
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1KV2
 | | Human p38 MAP Kinase in Complex with BIRB 796 | | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, p38 MAP kinase | | Authors: | Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J. | | Deposit date: | 2002-01-23 | | Release date: | 2002-03-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
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1KV1
 | | p38 MAP Kinase in Complex with Inhibitor 1 | | Descriptor: | 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase | | Authors: | Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J. | | Deposit date: | 2002-01-23 | | Release date: | 2002-03-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
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2N0J
 | | Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostamycin complex | | Descriptor: | RIBOSTAMYCIN, RNA_(27-MER) | | Authors: | Duchardt-Ferner, E, Gottstein-Schmidtke, S.R, Weigand, J.E, Ohlenschlaeger, O.E, Wurm, J, Hammann, C, Suess, B, Woehnert, J. | | Deposit date: | 2015-03-09 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | What a Difference an OH Makes: Conformational Dynamics as the Basis for the Ligand Specificity of the Neomycin-Sensing Riboswitch.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1KAC
 | | KNOB DOMAIN FROM ADENOVIRUS SEROTYPE 12 IN COMPLEX WITH DOMAIN 1 OF ITS CELLULAR RECEPTOR CAR | | Descriptor: | PROTEIN (COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR), PROTEIN (FIBER KNOB PROTEIN) | | Authors: | Bewley, M.C, Springer, K, Zhang, Y.B, Freimuth, P, Flanagan, J.M. | | Deposit date: | 1999-05-05 | | Release date: | 1999-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of the mechanism of adenovirus binding to its human cellular receptor, CAR.
Science, 286, 1999
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3UFY
 | | AKR1C3 complex with R-naproxen | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | | Deposit date: | 2011-11-01 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3ZGQ
 | | Crystal structure of human interferon-induced protein IFIT5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, INTERFERON-INDUCED PROTEIN WITH TETRATRICOPEPTIDE REPEATS 5 | | Authors: | Katibah, G.E, Lee, H.J, Huizar, J.P, Vogan, J.M, Alber, T, Collins, K. | | Deposit date: | 2012-12-19 | | Release date: | 2013-01-23 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | TRNA Binding, Structure, and Localization of the Human Interferon-Induced Protein Ifit5.
Mol.Cell, 49, 2013
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2LJR
 | | GLUTATHIONE TRANSFERASE APO-FORM FROM HUMAN | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | | Deposit date: | 1998-03-08 | | Release date: | 1999-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
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2PVA
 | | OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS | | Descriptor: | DITHIANE DIOL, PENICILLIN V ACYLASE | | Authors: | Suresh, C.G, Pundle, A.V, Rao, K.N, SivaRaman, H, Brannigan, J.A, McVey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G. | | Deposit date: | 1998-11-13 | | Release date: | 2000-07-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members.
Nat.Struct.Biol., 6, 1999
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4FAM
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | | Deposit date: | 2012-05-22 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
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