5UBL
 
 | | A circularly permuted version of PvdQ (cpPvdQ) | | Descriptor: | Acyl-homoserine lactone acylase PvdQ | | Authors: | Wu, R, Mascarenhas, R, Catlin, D, Clevenger, K, Fast, W, Liu, D. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-01 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ
To Be Published
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5UGQ
 | | Crystal Structure of Hip1 (Rv2224c) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2017-01-09 | | Release date: | 2017-04-12 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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5T4K
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, HTH-type transcriptional regulatory protein GabR | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UOH
 | | Crystal Structure of Hip1 (Rv2224c) T466A mutant | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-12 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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5UBK
 | | Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate | | Descriptor: | Acyl-homoserine lactone acylase PvdQ, N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine | | Authors: | Mascarenhas, R, Catlin, D, Wu, R, Clevenger, K, Fast, W, Liu, D. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-01 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ
To Be Published
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5UNO
 | | Crystal Structure of Hip1 (Rv2224c) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-12 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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5T4J
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, HTH-type transcriptional regulatory protein GabR, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T4L
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid, Aspartate aminotransferase | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ZGE
 | | Double Mutant H80W/H81W of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1 | | Descriptor: | FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit | | Authors: | Wu, R, Martinez, S, Holz, R, Liu, D. | | Deposit date: | 2015-04-22 | | Release date: | 2015-07-01 | | Last modified: | 2015-07-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analyzing the catalytic role of active site residues in the Fe-type nitrile hydratase from Comamonas testosteroni Ni1.
J.Biol.Inorg.Chem., 20, 2015
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4ZO2
 | | AidC, a Dizinc Quorum-Quenching Lactonase | | Descriptor: | Acylhomoserine lactonase, ZINC ION | | Authors: | Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D. | | Deposit date: | 2015-05-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
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4ZO3
 | | AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine | | Descriptor: | Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION | | Authors: | Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D. | | Deposit date: | 2015-05-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
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4ZGD
 | | Mutant R157A of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1 | | Descriptor: | FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit | | Authors: | Wu, R, Martinez, S, Holz, R, Liu, D. | | Deposit date: | 2015-04-22 | | Release date: | 2015-07-01 | | Last modified: | 2015-07-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Analyzing the catalytic role of active site residues in the Fe-type nitrile hydratase from Comamonas testosteroni Ni1.
J.Biol.Inorg.Chem., 20, 2015
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5BMM
 | | Src in complex with DNA-templated macrocyclic inhibitor MC25b | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC25b | | Authors: | Georghiou, G, Guja, K.E, Aleem, S, Kleiner, R.E, Liu, D.R, Miller, W.T, Garcia-Diaz, M, Seeliger, M.A. | | Deposit date: | 2015-05-22 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Biochemical Basis for Intracellular Kinase Inhibition by Src-specific Peptidic Macrocycles.
Cell Chem Biol, 23, 2016
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5BKM
 | | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-20 | | Release date: | 2022-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
To Be Published
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1BXD
 | | NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ)) | | Authors: | Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M. | | Deposit date: | 1998-10-02 | | Release date: | 1999-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
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5BWN
 | | Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | Authors: | Gai, W, Liu, D. | | Deposit date: | 2015-06-08 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
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5BWO
 | | Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ... | | Authors: | Gai, W, Jiang, H, Liu, D. | | Deposit date: | 2015-06-08 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.376 Å) | | Cite: | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
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5BWL
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7M32
 | | Dihydropyrimidine Dehydrogenase (DPD) C671A Mutant Soaked with Uracil and NADPH Anaerobically | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ALANINE, Dihydropyrimidine dehydrogenase [NADP(+)], ... | | Authors: | Butrin, A, Beaupre, B, Forouzesh, D, Liu, D, Moran, G. | | Deposit date: | 2021-03-18 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Perturbing the Movement of Hydrogens to Delineate and Assign Events in the Reductive Activation and Turnover of Porcine Dihydropyrimidine Dehydrogenase.
Biochemistry, 60, 2021
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1XTN
 | | crystal structure of CISK-PX domain with sulfates | | Descriptor: | SULFATE ION, Serine/threonine-protein kinase Sgk3 | | Authors: | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | | Deposit date: | 2004-10-22 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX)
J.Biol.Chem., 279, 2004
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7LJU
 | | Porcine Dihydropyrimidine Dehydrogenase (DPD) crosslinked with 5-Ethynyluracil (5EU) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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2FHT
 | | Crystal Structure of Viral Macrophage Inflammatory Protein-II | | Descriptor: | Viral macrophage inflammatory protein-II | | Authors: | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | | Deposit date: | 2005-12-27 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
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7L5F
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3RZ2
 | | Crystal of Prl-1 complexed with peptide | | Descriptor: | Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1 | | Authors: | Zhang, Z.-Y, Liu, D, Bai, Y. | | Deposit date: | 2011-05-11 | | Release date: | 2011-10-26 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein.
J.Biol.Chem., 286, 2011
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1XTE
 | | crystal structure of CISK-PX domain | | Descriptor: | Serine/threonine-protein kinase Sgk3 | | Authors: | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | | Deposit date: | 2004-10-21 | | Release date: | 2004-11-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX)
J.Biol.Chem., 279, 2004
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