2UYM
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4E8Y
| Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | Descriptor: | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, D-beta-D-heptose 7-phosphate kinase, ... | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | Deposit date: | 2012-03-20 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
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4E8Z
| Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | Deposit date: | 2012-03-20 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
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4E8W
| Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | Deposit date: | 2012-03-20 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8654 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
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4E84
| Crystal Structure of Burkholderia cenocepacia HldA | Descriptor: | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose, 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, ... | Authors: | Lee, T.-W, Junop, M.S. | Deposit date: | 2012-03-19 | Release date: | 2012-12-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
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2BH2
| Crystal Structure of E. coli 5-methyluridine methyltransferase RumA in complex with ribosomal RNA substrate and S-adenosylhomocysteine. | Descriptor: | 23S RIBOSOMAL RNA 1932-1968, 23S RRNA (URACIL-5-)-METHYLTRANSFERASE RUMA, IRON/SULFUR CLUSTER, ... | Authors: | Lee, T.T, Agarwalla, S, Stroud, R.M. | Deposit date: | 2005-01-06 | Release date: | 2005-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Unique RNA Fold in the Ruma-RNA-Cofactor Ternary Complex Contributes to Substrate Selectivity and Enzymatic Function Cell(Cambridge,Mass.), 120, 2005
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1UWV
| Crystal Structure of RumA, the iron-sulfur cluster containing E. coli 23S Ribosomal RNA 5-Methyluridine Methyltransferase | Descriptor: | 23S RRNA (URACIL-5-)-METHYLTRANSFERASE RUMA, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Lee, T.T, Agarwalla, S, Stroud, R.M. | Deposit date: | 2004-02-11 | Release date: | 2004-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Ruma, an Iron-Sulfur Cluster Containing E. Coli Ribosomal RNA 5-Methyluridine Methyltransferase. Structure, 12, 2004
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2PG2
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2UYI
| Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33 | Descriptor: | (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | Authors: | Lee, T.T. | Deposit date: | 2007-04-07 | Release date: | 2007-05-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2RIF
| CBS domain protein PAE2072 from Pyrobaculum aerophilum complexed with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CESIUM ION, Conserved protein with 2 CBS domains | Authors: | Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2007-10-10 | Release date: | 2008-06-17 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon. J.Mol.Biol., 380, 2008
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3QR3
| Crystal Structure of Cel5A (EG2) from Hypocrea jecorina (Trichoderma reesei) | Descriptor: | Endoglucanase EG-II, MAGNESIUM ION, SULFATE ION | Authors: | Lee, T.M, Farrow, M.F, Kaiser, J.T, Arnold, F.H, Mayo, S.L. | Deposit date: | 2011-02-16 | Release date: | 2011-11-02 | Last modified: | 2012-06-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A structural study of Hypocrea jecorina Cel5A. Protein Sci., 20, 2011
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2RIH
| CBS domain protein PAE2072 from Pyrobaculum aerophilum | Descriptor: | ACETIC ACID, Conserved protein with 2 CBS domains, SULFATE ION | Authors: | Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2007-10-10 | Release date: | 2008-06-17 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon J.Mol.Biol., 380, 2008
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2QAA
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3ITE
| The third adenylation domain of the fungal SidN non-ribosomal peptide synthetase | Descriptor: | CHLORIDE ION, SULFATE ION, SidN siderophore synthetase | Authors: | Lee, T.V, Lott, J.S, Johnson, R.D, Johnson, L.J, Arcus, V.L. | Deposit date: | 2009-08-28 | Release date: | 2009-11-17 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a eukaryotic nonribosomal peptide synthetase adenylation domain that activates a large hydroxamate amino acid in siderophore biosynthesis J.Biol.Chem., 285, 2010
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2G8X
| Escherichia coli Y209W apoprotein | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ... | Authors: | Lee, T.T, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2006-03-03 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261 TO BE PUBLISHED
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2GT7
| Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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2GTB
| Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like proteinase, ACETIC ACID | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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2GT8
| Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212 | Descriptor: | 3C-like proteinase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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3NYZ
| Crystal Structure of Kemp Elimination Catalyst 1A53-2 | Descriptor: | Indole-3-glycerol phosphate synthase, SULFATE ION | Authors: | Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L. | Deposit date: | 2010-07-15 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.514 Å) | Cite: | Iterative approach to computational enzyme design. Proc.Natl.Acad.Sci.USA, 109, 2012
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3NYD
| Crystal Structure of Kemp Eliminase HG-2 Complexed with Transition State Analog 5-Nitro Benzotriazole | Descriptor: | 5-nitro-1H-benzotriazole, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L. | Deposit date: | 2010-07-14 | Release date: | 2011-06-29 | Last modified: | 2012-04-25 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Iterative approach to computational enzyme design. Proc.Natl.Acad.Sci.USA, 109, 2012
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3NZ1
| Crystal Structure of Kemp Elimination Catalyst 1A53-2 Complexed with Transition State Analog 5-Nitro Benzotriazole | Descriptor: | 5-nitro-1H-benzotriazole, Indole-3-glycerol phosphate synthase, L(+)-TARTARIC ACID, ... | Authors: | Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L. | Deposit date: | 2010-07-15 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Iterative approach to computational enzyme design. Proc.Natl.Acad.Sci.USA, 109, 2012
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2A5I
| Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 1,2-ETHANEDIOL, 3C-like peptidase, ... | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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2A5K
| Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like peptidase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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2A5A
| Crystal structure of unbound SARS coronavirus main peptidase in the space group C2 | Descriptor: | 1,2-ETHANEDIOL, 3C-like peptidase, CHLORIDE ION | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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2QA9
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