2FYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fys by Molmil](/molmil-images/mine/2fys) | Crystal structure of Erk2 complex with KIM peptide derived from MKP3 | Descriptor: | Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1 | Authors: | Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y. | Deposit date: | 2006-02-08 | Release date: | 2006-04-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3 Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
4QEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qeb by Molmil](/molmil-images/mine/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
|
|
4QDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qdv by Molmil](/molmil-images/mine/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
|
|
3VEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vev by Molmil](/molmil-images/mine/3vev) | Glucokinase in complex with an activator and glucose | Descriptor: | (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
|
|
4Q9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9m by Molmil](/molmil-images/mine/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
|
|
4QDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qde by Molmil](/molmil-images/mine/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
|
|
6M1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m1k by Molmil](/molmil-images/mine/6m1k) | USP7 in complex with a novel inhibitor | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate | Authors: | Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A. | Deposit date: | 2020-02-26 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies. Eur.J.Med.Chem., 199, 2020
|
|
4NV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nv5 by Molmil](/molmil-images/mine/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
|
|
4Q9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9o by Molmil](/molmil-images/mine/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
|
|
4NV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nv6 by Molmil](/molmil-images/mine/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
|
|
4NV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nv2 by Molmil](/molmil-images/mine/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
|
|
3SIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3siv by Molmil](/molmil-images/mine/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
|
|
2MA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ma1 by Molmil](/molmil-images/mine/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
|
|
8JEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jec by Molmil](/molmil-images/mine/8jec) | |
8JEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jeu by Molmil](/molmil-images/mine/8jeu) | |
8JET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jet by Molmil](/molmil-images/mine/8jet) | |
7WBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wbl by Molmil](/molmil-images/mine/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
|
|
6BK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bk8 by Molmil](/molmil-images/mine/6bk8) | S. cerevisiae spliceosomal post-catalytic P complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Lea1, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2017-11-07 | Release date: | 2018-02-21 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the yeast spliceosomal postcatalytic P complex. Science, 358, 2017
|
|
6KKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kkt by Molmil](/molmil-images/mine/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
|
|
6KKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kkr by Molmil](/molmil-images/mine/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
|
|
7EJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ej2 by Molmil](/molmil-images/mine/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
|
|
7EJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ej1 by Molmil](/molmil-images/mine/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
|
|
6KKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kku by Molmil](/molmil-images/mine/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
|
|
7X4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4l by Molmil](/molmil-images/mine/7x4l) | Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase mutant Y303F-PLP complex | Descriptor: | Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Liu, S, Guoming, D, Yulu, W, Boting, W, Xin, F. | Deposit date: | 2022-03-02 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH. Food Chem, 403, 2023
|
|
4E90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e90 by Molmil](/molmil-images/mine/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
|
|