1JQI
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![BU of 1jqi by Molmil](/molmil-images/mine/1jqi) | Crystal Structure of Rat Short Chain Acyl-CoA Dehydrogenase Complexed With Acetoacetyl-CoA | Descriptor: | ACETOACETYL-COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, short chain acyl-CoA dehydrogenase | Authors: | Battaile, K.P, Molin-Case, J, Paschke, R, Wang, M, Bennett, D, Vockley, J, Kim, J.-J.P. | Deposit date: | 2001-08-07 | Release date: | 2002-02-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of rat short chain acyl-CoA dehydrogenase complexed with acetoacetyl-CoA: comparison with other acyl-CoA dehydrogenases. J.Biol.Chem., 277, 2002
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4PAV
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![BU of 4pav by Molmil](/molmil-images/mine/4pav) | Structure of hypothetical protein SA1046 from S. aureus. | Descriptor: | Glyoxalase family protein | Authors: | Battaile, K.P, Mulichak, A, Lam, R, Lam, K, Soloveychik, M, Romanov, V, Jones, K, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-04-10 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of hypothetical protein SA1046 from S. aureus. To Be Published
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4PAW
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![BU of 4paw by Molmil](/molmil-images/mine/4paw) | Structure of hypothetical protein HP1257. | Descriptor: | Orotate phosphoribosyltransferase, PHOSPHATE ION, THIOCYANATE ION, ... | Authors: | Battaile, K.P, Lam, R, Lam, K, Romanov, V, Jones, K, Soloveychik, M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-04-10 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure of hypothetical protein HP1257. To Be Published
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5KEF
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![BU of 5kef by Molmil](/molmil-images/mine/5kef) | Structure of hypothetical Staphylococcus protein SA0856 with zinc | Descriptor: | ACETATE ION, PhnB protein, ZINC ION | Authors: | Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y. | Deposit date: | 2016-06-09 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family. J. Biomol. Struct. Dyn., 36, 2018
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4PAU
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![BU of 4pau by Molmil](/molmil-images/mine/4pau) | Hypothetical protein SA1058 from S. aureus. | Descriptor: | CHLORIDE ION, Nitrogen regulatory protein A | Authors: | Battaile, K.P, Wu-Brown, J, Romanov, V, Jones, K, Lam, R, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-04-10 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hypothetical protein SA1058 from S. aureus. To Be Published
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4P13
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![BU of 4p13 by Molmil](/molmil-images/mine/4p13) | |
7KEY
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![BU of 7key by Molmil](/molmil-images/mine/7key) | Protein Tyrosine Phosphatase 1B, Apo | Descriptor: | ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | Deposit date: | 2020-10-13 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058. J.Biomol.Struct.Dyn., 2021
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7KLX
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![BU of 7klx by Molmil](/molmil-images/mine/7klx) | Protein Tyrosine Phosphatase 1B with inhibitor | Descriptor: | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | Deposit date: | 2020-11-01 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058. J.Biomol.Struct.Dyn., 2021
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1RX0
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![BU of 1rx0 by Molmil](/molmil-images/mine/1rx0) | Crystal structure of isobutyryl-CoA dehydrogenase complexed with substrate/ligand. | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acyl-CoA dehydrogenase family member 8, ... | Authors: | Battaile, K.P, Nguyen, T.V, Vockley, J, Kim, J.J. | Deposit date: | 2003-12-18 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of Isobutyryl-CoA Dehydrogenase and Enzyme-Product Complex: COMPARISON WITH ISOVALERYL- AND SHORT-CHAIN ACYL-COA DEHYDROGENASES. J.Biol.Chem., 279, 2004
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2BZG
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![BU of 2bzg by Molmil](/molmil-images/mine/2bzg) | Crystal structure of thiopurine S-methyltransferase. | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, THIOPURINE S-METHYLTRANSFERASE | Authors: | Battaile, K.P, Wu, H, Zeng, H, Loppnau, P, Dong, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-17 | Release date: | 2005-08-25 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Basis of Allele Variation of Human Thiopurine-S-Methyltransferase. Proteins, 67, 2007
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4JK7
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![BU of 4jk7 by Molmil](/molmil-images/mine/4jk7) | Open and closed forms of wild-type human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKA
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![BU of 4jka by Molmil](/molmil-images/mine/4jka) | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Co ion | Descriptor: | CHLORIDE ION, COBALT (II) ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKC
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![BU of 4jkc by Molmil](/molmil-images/mine/4jkc) | Open and closed forms of T1800E human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JK8
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![BU of 4jk8 by Molmil](/molmil-images/mine/4jk8) | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKB
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![BU of 4jkb by Molmil](/molmil-images/mine/4jkb) | Open and closed forms of V1788D human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JK9
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![BU of 4jk9 by Molmil](/molmil-images/mine/4jk9) | Open and closed forms of wild-type human PRP8 RNase H-like domain with bound Co ion | Descriptor: | CHLORIDE ION, COBALT (II) ION, GLYCEROL, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKH
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![BU of 4jkh by Molmil](/molmil-images/mine/4jkh) | Open and closed forms of D1781E human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKD
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![BU of 4jkd by Molmil](/molmil-images/mine/4jkd) | Open and closed forms of I1790Y human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKE
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![BU of 4jke by Molmil](/molmil-images/mine/4jke) | Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKG
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![BU of 4jkg by Molmil](/molmil-images/mine/4jkg) | Open and closed forms of mixed T1789P+R1865A and R1865A human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKF
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![BU of 4jkf by Molmil](/molmil-images/mine/4jkf) | Open and closed forms of T1791P+R1865A human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4MLK
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![BU of 4mlk by Molmil](/molmil-images/mine/4mlk) | 3.05A resolution structure of CT584 from Chlamydia trachomatis | Descriptor: | CT584 protein | Authors: | Hickey, J, Lovell, S, Kemege, K, Barta, M.L, Battaile, K.P, Hefty, P.S. | Deposit date: | 2013-09-06 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Structure of CT584 from Chlamydia trachomatis refined to 3.05 angstrom resolution. Acta Crystallogr.,Sect.F, 69, 2013
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4MPO
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![BU of 4mpo by Molmil](/molmil-images/mine/4mpo) | 1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ... | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | Deposit date: | 2013-09-13 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase. Biochemistry, 53, 2014
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5FBM
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![BU of 5fbm by Molmil](/molmil-images/mine/5fbm) | Crystal Structure of Histone Like Protein (HLP) from Streptococcus mutans Refined to 1.9 A Resolution | Descriptor: | DNA-binding protein HU | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, O'Neil, P, Biswas, I. | Deposit date: | 2015-12-14 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of histone-like protein from Streptococcus mutans refined to 1.9 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 72, 2016
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7TQ7
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![BU of 7tq7 by Molmil](/molmil-images/mine/7tq7) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | Descriptor: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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