3WUY
 
 | | Crystal structure of Nit6803 | | Descriptor: | Nitrilase | | Authors: | Yuan, Y.A, Yin, B, Wang, C. | | Deposit date: | 2014-05-09 | | Release date: | 2014-12-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
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5GWV
 | | Structure of MoeN5-Sso7d fusion protein in complex with a substrate analogue | | Descriptor: | (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid, MoeN5,DNA-binding protein 7d | | Authors: | Ko, T.-P, Guo, R.-T, Chen, C.-C. | | Deposit date: | 2016-09-14 | | Release date: | 2017-09-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
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5GWW
 | | Structure of MoeN5-Sso7d fusion protein in complex with a permethylated substrate analogue | | Descriptor: | MoeN5,DNA-binding protein 7d, methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate | | Authors: | Ko, T.-P, Guo, R.-T, Chen, C.-C. | | Deposit date: | 2016-09-14 | | Release date: | 2017-09-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
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6O3K
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6O3D
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6O3J
 | | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | | Authors: | Irimia, A, Wilson, I.A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.416 Å) | | Cite: | An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
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6O3L
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6O41
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6O3U
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6O42
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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
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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
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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
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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
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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
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7DX4
 | | The structure of FC08 Fab-hA.CE2-RBD complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Heavy chain of FC08 Fab, ... | | Authors: | Cao, L, Wang, X. | | Deposit date: | 2021-01-18 | | Release date: | 2021-04-21 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
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7D4G
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7CHU
 | | Geobacillus virus E2 - ORF18 | | Descriptor: | Putative pectin lyase | | Authors: | Gong, Y. | | Deposit date: | 2020-07-06 | | Release date: | 2021-04-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.008 Å) | | Cite: | Structural and functional characterization of the deep-sea thermophilic bacteriophage GVE2 tailspike protein.
Int.J.Biol.Macromol., 164, 2020
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7T9U
 | | Crystal structure of hSTING with an agonist (SHR169224) | | Descriptor: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Chowdhury, R, Miller, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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7T9V
 | | Crystal structure of hSTING with the agonist, SHR171032 | | Descriptor: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Chowdhury, R, Miller, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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4R5Y
 | | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | | Deposit date: | 2014-08-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
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4W63
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Pesaresi, A, Samez, S, Lamba, D. | | Deposit date: | 2014-08-20 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
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5DDU
 | | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CrmG, GLYCEROL, ... | | Authors: | Xu, J, Feng, Z, Liu, J. | | Deposit date: | 2015-08-25 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
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4R95
 | | BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium | | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | | Deposit date: | 2014-09-03 | | Release date: | 2014-11-05 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4R92
 | | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide | | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | | Deposit date: | 2014-09-03 | | Release date: | 2014-11-05 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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