7M8W
 
 | | XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | | Descriptor: | 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ... | | Authors: | Shiriaeva, A, Han, G.W, Cherezov, V. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5DDT
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5DDV
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8H41
 | | Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol | | Descriptor: | MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase | | Authors: | Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X. | | Deposit date: | 2022-10-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022
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5BTU
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5BU3
 | | Crystal Structure of Diels-Alderase PyrI4 in complex with its product | | Descriptor: | (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4 | | Authors: | Pan, L, Guo, Y, Liu, J. | | Deposit date: | 2015-06-03 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
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5I77
 | | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-02-17 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
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6XRE
 | | Structure of the p53/RNA polymerase II assembly | | Descriptor: | Cellular tumor antigen p53, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | Liou, S.-H, Singh, S, Singer, R.H, Coleman, R.A, Liu, W. | | Deposit date: | 2020-07-12 | | Release date: | 2021-03-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the p53/RNA polymerase II assembly.
Commun Biol, 4, 2021
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6ITA
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | | Descriptor: | Butyrophilin subfamily 3 member A1 | | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-11-20 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6ISM
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | | Descriptor: | Butyrophilin subfamily 3 member A1 | | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-11-16 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6J0L
 | | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion | | Descriptor: | Butyrophilin subfamily 3 member A3, SULFATE ION | | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6J0K
 | | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3 | | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6J0G
 | | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3 | | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6J06
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08 | | Descriptor: | (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ... | | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-12-21 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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8E80
 | | Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14 | | Descriptor: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2022-08-25 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
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8E81
 | | Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25 | | Descriptor: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2022-08-25 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
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5XWZ
 | | Crystal structure of a lactonase from Cladophialophora bantiana | | Descriptor: | GLYCEROL, MALONATE ION, SODIUM ION, ... | | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-06-30 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5I95
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | Deposit date: | 2016-02-19 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
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8GW4
 | | SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1 | | Descriptor: | Replicase polyprotein 1ab, peptide 8-1 | | Authors: | Liu, M, Huang, H. | | Deposit date: | 2022-09-16 | | Release date: | 2023-08-23 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5D4Y
 | | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase | | Authors: | Zheng, Y, Guo, R.T. | | Deposit date: | 2015-08-10 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
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5HS2
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5H9D
 | | Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus | | Descriptor: | C-terminal peptide from Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, Farnesyl pyrophosphate synthetase, Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, ... | | Authors: | Wei, H.L, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | Deposit date: | 2015-12-28 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
ChemMedChem, 11, 2016
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7VVE
 | | Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ... | | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | Deposit date: | 2021-11-05 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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8GWS
 | | SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4 | | Descriptor: | Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG | | Authors: | Liu, M, Fu, Z, Huang, H. | | Deposit date: | 2022-09-17 | | Release date: | 2023-08-23 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7VVC
 | | Crystal structure of inactive mutant of leaf-branch compost cutinase variant | | Descriptor: | ACETATE ION, ACETIC ACID, CALCIUM ION, ... | | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | Deposit date: | 2021-11-05 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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