5XP5
 
 | | C-Src in complex with ATP-Chf | | Descriptor: | MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | | Authors: | Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
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5XP7
 | | C-Src in complex with ATP-CHCl | | Descriptor: | GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ... | | Authors: | Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
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6XD7
 | | KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 A | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2020-06-10 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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6XJ8
 | | KPC-2 N170A mutant bound to hydrolyzed imipenem at 2.05 A | | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2020-06-23 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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6EFJ
 | | Crystal structure of NDM-1 with compound 9 | | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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5YI6
 | | CRISPR associated protein Cas6 | | Descriptor: | CRISPR-associated endoribonuclease Cas6 1, GLYCEROL, PHOSPHATE ION | | Authors: | Ko, T.P, Hsieh, T.J, Chen, Y. | | Deposit date: | 2017-10-03 | | Release date: | 2018-09-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Expression, Purification, Crystallization, and X-ray Structural Analysis of CRISPR-Associated Protein Cas6 from Methanocaldococcus jannaschii
Crystals, 7, 2018
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4QVG
 | | Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in its apo form | | Descriptor: | SibL | | Authors: | Liu, J.S, Chen, S.C, Huang, C.H, Yang, C.S, Chen, Y. | | Deposit date: | 2014-07-15 | | Release date: | 2015-05-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and mechanism of an antibiotics-synthesizing 3-hydroxykynurenine C-methyltransferase
Sci Rep, 5, 2015
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1T0T
 | | Crystallographic structure of a putative chlorite dismutase | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, APC35880, MAGNESIUM ION | | Authors: | Gilski, M, Borek, D, Chen, Y, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-04-12 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of APC35880 protein from Bacillus Stearothermophilus
To be Published
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1Y7I
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005
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6XD5
 | | Apo KPC-2 N170A mutant at 1.20 A | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2020-06-10 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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5YRP
 | | Crystal structure of the EAL domain of Mycobacterium smegmatis DcpA | | Descriptor: | MAGNESIUM ION, Sensory box/response regulator | | Authors: | Chen, H.J, li, N, Luo, Y, Jiang, Y.L, Zhou, C.Z, Chen, Y, Li, Q. | | Deposit date: | 2017-11-09 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The GDP-switched GAF domain of DcpA modulates the concerted synthesis/hydrolysis of c-di-GMP inMycobacterium smegmatis.
Biochem. J., 475, 2018
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6D1A
 | | Crystal structure of NDM-1 complexed with compound 1 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6CSU
 | | The structure of the Cep63-Cep152 heterotetrameric complex | | Descriptor: | Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa | | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | | Deposit date: | 2018-03-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
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6Y8J
 | | Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA | | Descriptor: | Carnitine monooxygenase oxygenase subunit, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | | Deposit date: | 2020-03-05 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
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6DD1
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3Q2C
 | | Binding properties to HLA class I molecules and the structure of the leukocyte Ig-like receptor A3 (LILRA3/ILT6/LIR4/CD85e) | | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily A member 3 | | Authors: | Ryu, M, Chen, Y, Qi, J.X, Liu, J, Shi, Y, Cheng, H, Gao, G.F. | | Deposit date: | 2010-12-20 | | Release date: | 2011-07-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | LILRA3 binds both classical and non-classical HLA class I molecules but with reduced affinities compared to LILRB1/LILRB2: structural evidence
Plos One, 6, 2011
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1T0B
 | | Structure of ThuA-like protein from Bacillus stearothermophilus | | Descriptor: | ThuA-like protein, ZINC ION | | Authors: | Borek, D, Chen, Y, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-04-08 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of chemical interactions in ThuA-like protein from Bacillus Stearothermophilus
To be Published
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1T5Y
 | | Crystal Structure of Northeast Structural Genomics Consortium Target HR2118: A Human Homolog of Saccharomyces cerevisiae Nip7p | | Descriptor: | SACCHAROMYCES CEREVISIAE Nip7p HOMOLOG | | Authors: | Kuzin, A.P, Chen, Y, Forouhar, F, Acton, T.B, Shastry, R, Ma, L.-C, Cooper, B, Xiao, R, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-05-05 | | Release date: | 2004-06-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Northeast Structural Genomics Consortium Target HR2118:
A Human Homolog of Saccharomyces cerevisiae Nip7p
To be Published
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4U1Q
 | | Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH | | Descriptor: | (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid, S-ADENOSYL-L-HOMOCYSTEINE, SibL | | Authors: | liu, J.S, Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y. | | Deposit date: | 2014-07-16 | | Release date: | 2015-08-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.085 Å) | | Cite: | Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH
To Be Published
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1P4E
 | | Flpe W330F mutant-DNA Holliday Junction Complex | | Descriptor: | 33-MER, 5'-D(*TP*AP*AP*GP*TP*TP*CP*CP*TP*AP*TP*TP*C)-3', 5'-D(*TP*TP*TP*AP*AP*AP*AP*GP*AP*AP*TP*AP*GP*GP*AP*AP*CP*TP*TP*C)-3', ... | | Authors: | Rice, P.A, Chen, Y. | | Deposit date: | 2003-04-23 | | Release date: | 2003-05-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The role of the conserved Trp330 in Flp-mediated recombination. Functional and structural analysis
J.Biol.Chem., 278, 2003
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4U88
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1Y7H
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | THIOCYANATE ION, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1T3H
 | | X-ray Structure of Dephospho-CoA Kinase from E. coli Norteast Structural Genomics Consortium Target ER57 | | Descriptor: | Dephospho-CoA kinase, SULFATE ION | | Authors: | Kuzin, A.P, Chen, Y, Forouhar, F, Edstrom, W, Benach, J, Vorobiev, S, Acton, T, Shastry, R, Ma, L.-C, Xia, R, Montelione, G, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-04-26 | | Release date: | 2004-05-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray Structure of Dephospho-CoA Kinase from E. coli
Norteast Structural Genomics Consortium Target ER57
TO BE PUBLISHED
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1RYU
 | | Solution Structure of the SWI1 ARID | | Descriptor: | SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1 | | Authors: | Kim, S, Zhang, Z, Upchurch, S, Isern, N, Chen, Y. | | Deposit date: | 2003-12-22 | | Release date: | 2004-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and DNA-binding sites of the SWI1 AT-rich interaction domain (ARID) suggest determinants for sequence-specific DNA recognition.
J.Biol.Chem., 279, 2004
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1R78
 | | CDK2 complex with a 4-alkynyl oxindole inhibitor | | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | | Deposit date: | 2003-10-20 | | Release date: | 2004-01-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14, 2004
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