8EXE
 
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8EXF
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5HI5
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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8FBD
 | | Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1 | | Descriptor: | ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3 | | Authors: | Liu, S, Gao, L. | | Deposit date: | 2022-11-29 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
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5HI4
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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3BLU
 | | crystal structure YopH complexed with inhibitor PVS | | Descriptor: | (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH | | Authors: | Liu, S, Zhang, Z.-Y. | | Deposit date: | 2007-12-11 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases
J.Am.Chem.Soc., 130, 2008
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5JQ1
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5JPV
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3BLT
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5HHV
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5HHX
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4M0V
 | | Crystal structure of E.coli SbcD with Mn2+ | | Descriptor: | Exonuclease subunit SbcD, GLYCEROL, MANGANESE (II) ION | | Authors: | Liu, S, Tian, L.F, Yan, X.X, Liang, D.C. | | Deposit date: | 2013-08-02 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural basis for DNA recognition and nuclease processing by the Mre11 homologue SbcD in double-strand breaks repair.
Acta Crystallogr.,Sect.D, 70, 2014
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8F4Q
 | | rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors | | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-11-11 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Discovery of branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors acting as stabilizers or destabilizers
To Be Published
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8FBE
 | | Crystal structure of OrfX1 from Clostridium botulinum E1 | | Descriptor: | Neurotoxin complex component Orf-X1 | | Authors: | Liu, S, Gao, L. | | Deposit date: | 2022-11-29 | | Release date: | 2022-12-21 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
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5V03
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5V02
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1S2W
 | | Crystal structure of phosphoenolpyruvate mutase in high ionic strength | | Descriptor: | Phosphoenolpyruvate phosphomutase, SULFATE ION | | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-01-11 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
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3VEY
 | | glucokinase in complex with glucose and ATPgS | | Descriptor: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Liu, S. | | Deposit date: | 2012-01-09 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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1S2T
 | | Crystal Structure Of Apo Phosphoenolpyruvate Mutase | | Descriptor: | Phosphoenolpyruvate phosphomutase | | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-01-11 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
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4LTY
 | | Crystal Structure of E.coli SbcD at 1.8 A Resolution | | Descriptor: | Exonuclease subunit SbcD, GLYCEROL | | Authors: | Liu, S, Tian, L.F, Yan, X.X, Liang, D.C. | | Deposit date: | 2013-07-24 | | Release date: | 2014-02-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for DNA recognition and nuclease processing by the Mre11 homologue SbcD in double-strand breaks repair.
Acta Crystallogr.,Sect.D, 70, 2014
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1S2U
 | | Crystal structure of the D58A phosphoenolpyruvate mutase mutant protein | | Descriptor: | DI(HYDROXYETHYL)ETHER, Phosphoenolpyruvate phosphomutase | | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-01-11 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
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1XG3
 | | Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate | | Descriptor: | MAGNESIUM ION, PYRUVIC ACID, Probable methylisocitrate lyase, ... | | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-09-16 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
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4LU9
 | | Crystal structure of E.coli SbcD at 2.5 angstrom resolution | | Descriptor: | Exonuclease subunit SbcD, GLYCEROL | | Authors: | Liu, S, Tian, L.F, Yan, X.X, Liang, D.C. | | Deposit date: | 2013-07-25 | | Release date: | 2014-08-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for DNA recognition and nuclease processing by the Mre11 homologue SbcD in double-strand breaks repair.
Acta Crystallogr.,Sect.D, 70, 2014
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3DYQ
 | | human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | | Deposit date: | 2008-07-28 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3DYL
 | | human phosphdiesterase 9 substrate complex (ES complex) | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ... | | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | | Deposit date: | 2008-07-28 | | Release date: | 2008-09-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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