8D8Y
| Crystal structure of ChoE N147A mutant in complex with acetylthiocholine | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETYLTHIOCHOLINE, CHLORIDE ION, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
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8D91
| Crystal structure of ChoE in complex with acetate and tetraethylammonium (TEA) | Descriptor: | ACETATE ION, ChoE, TETRAETHYLAMMONIUM ION | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
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8D8X
| Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2) | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
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8D8Z
| Crystal structure of ChoE N147A mutant in complex with thiocholine and chloride | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, CHLORIDE ION, ChoE, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
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8D90
| Crystal structure of ChoE N147A mutant in complex with bromide ions | Descriptor: | BROMIDE ION, ChoE, GLYCEROL | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
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1OV4
| Crystal structure of human DHEA-ST complexed with androsterone | Descriptor: | (3Beta,5alpha)-3-Hydroxyandrostan-17-one, Alcohol sulfotransferase, SULFATE ION | Authors: | Chang, H.J, Shi, R, Rhese, P, Lin, S.X. | Deposit date: | 2003-03-25 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identifying androsterone (ADT) as a cognate substrate for human dehydroepiandrosterone sulfotransferase (DHEA-ST) important for steroid homeostasis: structure of the enzyme-ADT complex. J.Biol.Chem., 279, 2004
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6UQX
| Crystal structure of ChoE in complex with propionylthiocholine | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, IODIDE ION, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2019-10-21 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism. J.Biol.Chem., 295, 2020
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6UQW
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6UR1
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6UQZ
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6UQY
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6UR0
| Crystal structure of ChoE D285N mutant acyl-enzyme | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, GLYCEROL | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2019-10-21 | Release date: | 2020-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism. J.Biol.Chem., 295, 2020
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3O39
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5I1V
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5I1W
| Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis | Descriptor: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde, 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol, CrmK, ... | Authors: | Picard, M.-E, Barma, J, Shi, R. | Deposit date: | 2016-02-07 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis to be published
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6B02
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6B07
| Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid (inhibitor 1d) | Descriptor: | 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium, Farnesyl diphosphate synthase, ... | Authors: | Picard, M.-E, Cusson, M, Shi, R. | Deposit date: | 2017-09-13 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design. Insect Biochem. Mol. Biol., 92, 2017
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6B04
| Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b) | Descriptor: | 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, Farnesyl diphosphate synthase, ... | Authors: | Picard, M.-E, Cusson, M, Shi, R. | Deposit date: | 2017-09-13 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design. Insect Biochem. Mol. Biol., 92, 2017
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6B06
| Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with IPP and [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b) | Descriptor: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, ... | Authors: | Picard, M.-E, Cusson, M, Shi, R. | Deposit date: | 2017-09-13 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design. Insect Biochem. Mol. Biol., 92, 2017
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3TTF
| Crystal structure of E. coli HypF with AMP and carbamoyl phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ... | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | Deposit date: | 2011-09-14 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites. Structure, 19, 2011
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3TSQ
| Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate | Descriptor: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, Transcriptional regulatory protein, ... | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | Deposit date: | 2011-09-13 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites. Structure, 19, 2011
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3TSP
| Crystal structure of E. coli HypF | Descriptor: | MAGNESIUM ION, Transcriptional regulatory protein, ZINC ION | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | Deposit date: | 2011-09-13 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites. Structure, 19, 2011
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7VZT
| A human neutralizing antibody targeting SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GH12-Heavy, GH12-LIGHT, ... | Authors: | Wang, F.Z, Wang, Y, Tan, X.W, Shi, R, Yan, J.H. | Deposit date: | 2021-11-16 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | GH12, glycosylation function To Be Published
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7C88
| Complex structure of JS003 and PD-L1 | Descriptor: | JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1 | Authors: | Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S. | Deposit date: | 2020-05-29 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy. Signal Transduct Target Ther, 5, 2020
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5K55
| Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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