2N2M
 
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2N2L
 | | NMR structure of yersinia pestis ail (attachment invasion locus) in decylphosphocholine micelles calculated with implicit membrane solvation | | Descriptor: | Outer membrane protein X | | Authors: | Marassi, F.M, Ding, Y, Tian, Y, Schwieters, C.D, Yao, Y. | | Deposit date: | 2015-05-10 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation.
J.Biomol.Nmr, 63, 2015
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4I3K
 | | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | | Descriptor: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | | Deposit date: | 2012-11-26 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3056 Å) | | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
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1FNT
 | | CRYSTAL STRUCTURE OF THE 20S PROTEASOME FROM YEAST IN COMPLEX WITH THE PROTEASOME ACTIVATOR PA26 FROM TRYPANOSOME BRUCEI AT 3.2 ANGSTROMS RESOLUTION | | Descriptor: | MAGNESIUM ION, PROTEASOME ACTIVATOR PROTEIN PA26, PROTEASOME COMPONENT C1, ... | | Authors: | Whitby, F.G, Masters, E, Kramer, L, Knowlton, J.R, Yao, Y, Wang, C.C, Hill, C.P. | | Deposit date: | 2000-08-23 | | Release date: | 2001-04-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the activation of 20S proteasomes by 11S regulators.
Nature, 408, 2000
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2KSM
 | | Central B domain of Rv0899 from Mycobacterium tuberculosis | | Descriptor: | MYCOBACTERIUM TUBERCULOSIS RV0899/MT0922/OmpATb | | Authors: | Teriete, P, Yao, Y, Kolodzik, A, Yu, J, Song, H, Niederweis, M, Marassi, F.M. | | Deposit date: | 2010-01-07 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Mycobacterium tuberculosis Rv0899 adopts a mixed alpha/beta-structure and does not form a transmembrane beta-barrel.
Biochemistry, 49, 2010
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8Z3B
 | | Crystal structure of GSTd2 | | Descriptor: | Glutathione S-transferase delta | | Authors: | Mo, X, Yao, Y. | | Deposit date: | 2024-04-15 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of a Plutella xylostella GZTd2, evolved in isothiocyanate detoxification
To be published
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5Z4U
 | | Crystal Structure of T2R-TTL complex with 7a3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole, CALCIUM ION, ... | | Authors: | Lai, Q, Wang, Y, Yang, J, Yao, Y. | | Deposit date: | 2018-01-14 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Crystal Structure of T2R-TTL complex with 7a3
To Be Published
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6WCR
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4KCC
 | | Crystal Structure of the NMDA Receptor GluN1 Ligand Binding Domain Apo State | | Descriptor: | Glutamate receptor ionotropic, NMDA 1, PHOSPHATE ION | | Authors: | Berger, A.J, Lau, A.Y, Mayer, M.L. | | Deposit date: | 2013-04-24 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics.
Structure, 21, 2013
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8XOK
 | | Cryo-EM structure of human ABCC4 | | 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, ATP-binding cassette sub-family C member 4, PALMITIC ACID | | Authors: | Zhang, P.F, Liu, Z. | | Deposit date: | 2024-01-01 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
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8CC4
 | | LasB bound to phosphonic acid based inhibitor | | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | | Authors: | Mueller, R, Sikandar, A. | | Deposit date: | 2023-01-26 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
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8IH4
 | | Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | | Descriptor: | Butyrophilin subfamily 2 member A2 | | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2023-02-22 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8IGT
 | | Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | | Descriptor: | Butyrophilin subfamily 2 member A1, ZINC ION | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2023-02-21 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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6WI7
 | | RING1B-BMI1 fusion in closed conformation | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ... | | Authors: | Cho, H.J, Cierpicki, T. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
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6WI8
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4U85
 | | Human Pin1 with cysteine sulfinic acid 113 | | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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4U86
 | | Human Pin1 with cysteine sulfonic acid 113 | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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4U84
 | | Human Pin1 with S-hydroxyl-cysteine 113 | | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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8INP
 | | A reversible glycosyltransferase of tectorigenin - Bc7OUGT | | Descriptor: | Bc7OUGT, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose | | Authors: | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | | Deposit date: | 2023-03-10 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
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8ITA
 | | A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin | | Descriptor: | 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE | | Authors: | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
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4L07
 | | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | | Descriptor: | GLYCEROL, Hydrolase, isochorismatase family, ... | | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | Deposit date: | 2013-05-30 | | Release date: | 2014-07-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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4L08
 | | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | | Descriptor: | Hydrolase, isochorismatase family, MALEIC ACID | | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | Deposit date: | 2013-05-31 | | Release date: | 2014-07-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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8TPE
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | Descriptor: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide, Non-structural protein 7 | | Authors: | Chua, T.K, Song, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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8TPG
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | Descriptor: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | | Authors: | Chua, T.K, Song, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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8TPB
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | Descriptor: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide, Non-structural protein 7 | | Authors: | Chua, T.K, Song, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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