8I4S
 
 | | the complex structure of SARS-CoV-2 Mpro with D8 | | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | | Authors: | Lu, M. | | Deposit date: | 2023-01-21 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
|
|
8HUG
 | | F1 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-12-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
|
|
8HUF
 | | B28 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-12-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
|
|
7CHA
 | | Cryo-EM structure of P.aeruginosa MlaFEBD with AMPPNP | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Zhou, C, Shi, H, Zhang, M, Huang, Y. | | Deposit date: | 2020-07-05 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
|
|
7CH6
 | | Cryo-EM structure of E.coli MlaFEB with AMPPNP | | Descriptor: | Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Zhou, C, Shi, H, Zhang, M, Huang, Y. | | Deposit date: | 2020-07-05 | | Release date: | 2021-08-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
|
|
8K5N
 | | Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy | | Descriptor: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Xiao, Y.B. | | Deposit date: | 2023-07-22 | | Release date: | 2024-01-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
|
|
7CH8
 | | Cryo-EM structure of P.aeruginosa MlaFEBD with ADP-V | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADP METAVANADATE, MAGNESIUM ION, ... | | Authors: | Zhou, C, Shi, H, Zhang, M, Huang, Y. | | Deposit date: | 2020-07-05 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
|
|
7CH9
 | | Cryo-EM structure of P.aeruginosa MlaFEBD | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, Probable ATP-binding component of ABC transporter, ... | | Authors: | Zhou, C, Shi, H, Zhang, M, Huang, Y. | | Deposit date: | 2020-07-05 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
|
|
1Q5X
 | | Structure of OF RRAA (MENG), a protein inhibitor of RNA processing | | Descriptor: | REGULATOR OF RNASE E ACTIVITY A | | Authors: | Monzingo, A.F, Gao, J, Qiu, J, Georgiou, G, Robertus, J.D. | | Deposit date: | 2003-08-11 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The X-ray Structure of Escherichia coli RraA (MenG), A Protein Inhibitor of RNA Processing.
J.Mol.Biol., 332, 2003
|
|
7VQD
 | | Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate. | | Descriptor: | Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ... | | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | | Deposit date: | 2021-10-19 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
|
|
7VQB
 | | Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ... | | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | | Deposit date: | 2021-10-19 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
|
|
7VQA
 | | Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate. | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ... | | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | | Deposit date: | 2021-10-19 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
|
|
7VQ9
 | | Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate | | Descriptor: | 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ... | | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | | Deposit date: | 2021-10-19 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
|
|
7VQC
 | | Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate | | Descriptor: | Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION | | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | | Deposit date: | 2021-10-19 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
|
|
5XOE
 | |
6JWE
 | | structure of RET G-quadruplex in complex with colchicine | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | | Authors: | Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C. | | Deposit date: | 2019-04-20 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
|
|
6JWD
 | | structure of RET G-quadruplex in complex with berberine | | Descriptor: | BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3') | | Authors: | Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C. | | Deposit date: | 2019-04-19 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
|
|
5XLO
 | |
6KWD
 | | Crystal Structure Analysis of Endo-beta-1,4-Xylanase II Complexed with Xylotriose | | Descriptor: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ... | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-09-06 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.298 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
|
|
6KW9
 | |
5XZA
 | | Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, CITRATE ANION, ... | | Authors: | Wang, C.L, Tian, T, Zang, J.Y. | | Deposit date: | 2017-07-12 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
|
|
7CRC
 | | Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ... | | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
|
|
5XZ8
 | | Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, GLYCEROL, ... | | Authors: | Wang, C.L, Tian, T, Zang, J.Y. | | Deposit date: | 2017-07-11 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
|
|
6KWF
 | | Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | | Descriptor: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ... | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-09-06 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
|
|
6KWG
 | | Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-09-06 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.694 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
|
|
