4NL1
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3IAP
| E. coli (lacZ) beta-galactosidase (E416Q) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | Deposit date: | 2009-07-14 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
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3IAQ
| E. coli (lacz) beta-galactosidase (E416V) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | Deposit date: | 2009-07-14 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
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2I5J
| Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor | Descriptor: | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ... | Authors: | Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E. | Deposit date: | 2006-08-24 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. Acs Chem.Biol., 1, 2006
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3T2P
| E. coli (lacZ) beta-galactosidase (S796D) in complex with IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-22 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T0B
| E. coli (LacZ) beta-galactosidase (S796T) IPTG complex | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-19 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | er-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T2Q
| E. coli (lacZ) beta-galactosidase (S796D) in complex with galactonolactone | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-22 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T09
| E. coli (LacZ) beta-galactosidase (S796A) galactonolactone complex | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-19 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T0A
| E. coli (LacZ) beta-galactosidase (S796T) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-19 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T2O
| E. coli (lacZ) beta-galactosidase (S796D) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-22 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T0D
| E.coli (lacZ) beta-galactosidase (S796T) in complex with galactonolactone | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-20 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Ser-796 of Beta-galactosidase (E. coli) plays a Key role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3T08
| E. coli (LacZ) beta-galactosidase (S796A) IPTG complex | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-07-19 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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3GQL
| Crystal Structure of activated receptor tyrosine kinase in complex with substrates | Descriptor: | (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol, Basic fibroblast growth factor receptor 1 | Authors: | Bae, J.H, Lew, E.D, Yuzawa, S, Tome, F, Lax, I, Schlessinger, J. | Deposit date: | 2009-03-24 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The selectivity of receptor tyrosine kinase signaling is controlled by a secondary SH2 domain binding site. Cell(Cambridge,Mass.), 138, 2009
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3SEP
| E. coli (lacZ) beta-galactosidase (S796A) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | Deposit date: | 2011-06-10 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
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2YIQ
| Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 | Descriptor: | (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2011-05-16 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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2YIR
| Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352 | Descriptor: | (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2011-05-16 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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3AAS
| Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate | Descriptor: | (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ... | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
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1KTL
| The human non-classical major histocompatibility complex molecule HLA-E | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | Authors: | Holmes, M.A, Strong, R.K. | Deposit date: | 2002-01-16 | Release date: | 2003-02-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities J.Biol.Chem., 278, 2003
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1KG5
| Crystal structure of the K142Q mutant of E.coli MutY (core fragment) | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | Deposit date: | 2001-11-26 | Release date: | 2002-11-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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1KG6
| Crystal structure of the K142R mutant of E.coli MutY (core fragment) | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | Deposit date: | 2001-11-26 | Release date: | 2002-11-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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1KG4
| Crystal structure of the K142A mutant of E. coli MutY (core fragment) | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | Deposit date: | 2001-11-26 | Release date: | 2002-11-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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6TI9
| Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid. | Descriptor: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ... | Authors: | Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W. | Deposit date: | 2019-11-22 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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6TJN
| Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | Descriptor: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | Authors: | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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1KMI
| CRYSTAL STRUCTURE OF AN E.COLI CHEMOTAXIS PROTEIN, CHEZ | Descriptor: | BERYLLIUM TRIFLUORIDE ION, BICINE, Chemotaxis protein cheY, ... | Authors: | Zhao, R, Collins, E.J, Bourret, R.B, Silversmith, R.E. | Deposit date: | 2001-12-16 | Release date: | 2002-07-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and catalytic mechanism of the E. coli chemotaxis phosphatase CheZ. Nat.Struct.Biol., 9, 2002
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6NPF
| Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite. | Descriptor: | Enolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D. | Deposit date: | 2019-01-17 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate. Sci Rep, 9, 2019
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