3DYN
 
 | | human phosphodiestrase 9 in complex with cGMP (Zn inhibited) | | 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 (2.1 Å) | | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3DYS
 | | human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant. | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ... | | 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 (2.3 Å) | | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2LVO
 | | Structure of the gp78CUE domain bound to monubiquitin | | Descriptor: | E3 ubiquitin-protein ligase AMFR, Ubiquitin | | Authors: | Liu, S, Chen, Y, Huang, T, Tarasov, S.G, King, A, Li, J, Weissman, A.M, Byrd, R.A, Das, R. | | Deposit date: | 2012-07-09 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Promiscuous Interactions of gp78 E3 Ligase CUE Domain with Polyubiquitin Chains.
Structure, 20, 2012
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4DHY
 | | Crystal structure of human glucokinase in complex with glucose and activator | | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-01-30 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4EWS
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6KKU
 | | human KCC1 structure determined in NaCl and GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6KKT
 | | human KCC1 structure determined in KCl and lipid nanodisc | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6KKR
 | | human KCC1 structure determined in KCl and detergent GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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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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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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5BX1
 | | Crystal Structure of PRL-1 complex with compound analogy 3 | | Descriptor: | 3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide, Protein tyrosine phosphatase type IVA 1, SULFATE ION | | Authors: | Liu, S, Bai, Y, Zhang, Z. | | Deposit date: | 2015-06-08 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of PRL-1 complex with compound analogy 3
To Be Published
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8FJP
 | | Cryo-EM structure of native mosquito salivary gland surface protein 1 (SGS1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, salivary gland surface protein 1 | | Authors: | Liu, S, Xia, X, Calvo, E, Zhou, Z.H. | | Deposit date: | 2022-12-20 | | Release date: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Native structure of mosquito salivary protein uncovers domains relevant to pathogen transmission.
Nat Commun, 14, 2023
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4G2L
 | | Human PDE9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4G2J
 | | Human pde9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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5DI1
 | | MAP4K4 in complex with an inhibitor | | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Liu, S. | | Deposit date: | 2015-08-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
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4KIK
 | | Human IkB kinase beta | | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A | | Authors: | Liu, S, Mosyak, L. | | Deposit date: | 2013-05-02 | | Release date: | 2013-06-26 | | Last modified: | 2013-08-28 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer.
J.Biol.Chem., 288, 2013
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2I80
 | | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | | Descriptor: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase | | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R. | | Deposit date: | 2006-08-31 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I87
 | | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | | Descriptor: | D-alanine-D-alanine ligase, SULFATE ION | | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | | Deposit date: | 2006-09-01 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GV9
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3SIU
 | | Structure of a hPrp31-15.5K-U4atac 5' stem loop complex, monomeric form | | Descriptor: | NHP2-like protein 1, SULFATE ION, U4/U6 small nuclear ribonucleoprotein Prp31, ... | | Authors: | Liu, S, Ghalei, H, Luhrmann, R, Wahl, M.C. | | Deposit date: | 2011-06-20 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.626 Å) | | Cite: | Structural basis for the dual U4 and U4atac snRNA-binding specificity of spliceosomal protein hPrp31.
Rna, 17, 2011
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3SIV
 | | Structure of a hPrp31-15.5K-U4atac 5' stem loop complex, dimeric form | | Descriptor: | NHP2-like protein 1, U4/U6 small nuclear ribonucleoprotein Prp31, U4atac snRNA | | Authors: | Liu, S, Ghalei, H, Luhrmann, R, Wahl, M.C. | | Deposit date: | 2011-06-20 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.304 Å) | | Cite: | Structural basis for the dual U4 and U4atac snRNA-binding specificity of spliceosomal protein hPrp31.
Rna, 17, 2011
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2I8C
 | | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, MAGNESIUM ION, ... | | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | | Deposit date: | 2006-09-01 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3VF6
 | | Glucokinase in complex with glucose and activator | | Descriptor: | 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-01-09 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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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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2MA1
 | | Solution structure of HRDC1 domain of RecQ helicase from Deinococcus radiodurans | | Descriptor: | DNA helicase RecQ | | Authors: | Liu, S, Zhang, W, Gao, Z, Ming, Q, Hou, H, Lan, W, Wu, H, Cao, C, Dong, Y. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans
To be Published
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