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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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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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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4E90
| Human phosphodiesterase 9 in complex with inhibitors | Descriptor: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-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: | 2012-03-20 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 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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6N7P
| S. cerevisiae spliceosomal E complex (UBC4) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2018-11-27 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A unified mechanism for intron and exon definition and back-splicing. Nature, 573, 2019
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4NV5
| C50A mutant of Synechococcus VKOR, C2 crystal form (dehydrated) | Descriptor: | UBIQUINONE-10, VKORC1/thioredoxin domain protein | Authors: | Liu, S, Cheng, W, Fowle Grider, R, Shen, G, Li, W. | Deposit date: | 2013-12-04 | Release date: | 2014-02-12 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structures of an intramembrane vitamin K epoxide reductase homolog reveal control mechanisms for electron transfer. Nat Commun, 5, 2014
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4NV2
| C50A mutant of Synechococcus VKOR, C2221 crystal form | Descriptor: | UBIQUINONE-10, VKORC1/thioredoxin domain protein | Authors: | Liu, S, Cheng, W, Fowle Grider, R, Shen, G, Li, W. | Deposit date: | 2013-12-04 | Release date: | 2014-02-12 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Structures of an intramembrane vitamin K epoxide reductase homolog reveal control mechanisms for electron transfer. Nat Commun, 5, 2014
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4NV6
| C212A mutant of Synechococcus VKOR | Descriptor: | UBIQUINONE-10, VKORC1/thioredoxin domain protein | Authors: | Liu, S, Cheng, W, Fowle Grider, R, Shen, G, Li, W. | Deposit date: | 2013-12-04 | Release date: | 2014-02-12 | Method: | X-RAY DIFFRACTION (4.19 Å) | Cite: | Structures of an intramembrane vitamin K epoxide reductase homolog reveal control mechanisms for electron transfer. Nat Commun, 5, 2014
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4Q9O
| Crystal structure of Upps + inhibitor | Descriptor: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, Isoprenyl transferase, SULFATE ION | Authors: | Liu, S, Qiu, X. | Deposit date: | 2014-05-01 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase. Protein Sci., 24, 2015
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4QEB
| Dcps in complex with covalent inhibitor targeting Tyrosine | Descriptor: | 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase | Authors: | Liu, S. | Deposit date: | 2014-05-15 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Human Dcps in complex with covalent inhibitor To be Published
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4QDV
| Dcps in complex with covalent ligand | Descriptor: | 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, GLYCEROL, PHOSPHATE ION, ... | Authors: | Liu, S. | Deposit date: | 2014-05-14 | Release date: | 2015-05-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dcps in complex with covalent ligands targeting Tyrosines To be Published
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4Q9M
| Crystal structure of UPPs in complex with FPP and an allosteric inhibitor | Descriptor: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, CADMIUM ION, FARNESYL DIPHOSPHATE, ... | Authors: | Liu, S, Qiu, X. | Deposit date: | 2014-05-01 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase. Protein Sci., 24, 2015
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4QDE
| Dcps in complex with covalent inhibitor | Descriptor: | 2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase | Authors: | Liu, S. | Deposit date: | 2014-05-13 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dcps in complex with covalent inhibitors To be Published
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6N7R
| Saccharomyces cerevisiae spliceosomal E complex (ACT1) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2018-11-28 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A unified mechanism for intron and exon definition and back-splicing. Nature, 573, 2019
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7WBL
| Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2021-12-17 | Release date: | 2022-01-19 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2. Cell, 185, 2022
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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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8IVQ
| Cryo-EM structure of mouse BIRC6, Global map | Descriptor: | Isoform 2 of Baculoviral IAP repeat-containing protein 6 | Authors: | Liu, S, Jiang, T, Bu, F, Zhao, J, Wang, G, Li, N, Gao, N, Qiu, X. | Deposit date: | 2023-03-28 | Release date: | 2024-01-24 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular mechanisms underlying the BIRC6-mediated regulation of apoptosis and autophagy. Nat Commun, 15, 2024
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7EJ1
| human voltage-gated potassium channel KV1.3 | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 3, Voltage-gated potassium channel subunit beta-2 | Authors: | Liu, S, Zhao, Y, Tian, C. | Deposit date: | 2021-04-01 | Release date: | 2021-06-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of wild-type and H451N mutant human lymphocyte potassium channel K V 1.3. Cell Discov, 7, 2021
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7EJ2
| human voltage-gated potassium channel KV1.3 H451N mutant | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 3, Voltage-gated potassium channel subunit beta-2 | Authors: | Liu, S, Zhao, Y, Tian, C. | Deposit date: | 2021-04-01 | Release date: | 2021-06-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of wild-type and H451N mutant human lymphocyte potassium channel K V 1.3. Cell Discov, 7, 2021
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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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7UOM
| Endogenous dihydrolipoamide acetyltransferase (E2) core of pyruvate dehydrogenase complex from bovine kidney | Descriptor: | Acetyltransferase component of pyruvate dehydrogenase complex | Authors: | Liu, S, Xia, X, Zhen, J, Li, Z.H, Zhou, Z.H. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures and comparison of endogenous 2-oxoglutarate and pyruvate dehydrogenase complexes from bovine kidney. Cell Discov, 8, 2022
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7UOL
| Endogenous dihydrolipoamide succinyltransferase (E2) core of 2-oxoglutarate dehydrogenase complex from bovine kidney | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial | Authors: | Liu, S, Xia, X, Zhen, J, Li, Z.H, Zhou, Z.H. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures and comparison of endogenous 2-oxoglutarate and pyruvate dehydrogenase complexes from bovine kidney. Cell Discov, 8, 2022
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7WUB
| Cryo-EM structure of dodecamer P97 | Descriptor: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Liu, S, Wang, T. | Deposit date: | 2022-02-08 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of dodecamer P97 at 2.99 Angstroms resolution To Be Published
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4WUY
| Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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