8D8Z
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![BU of 8d8z by Molmil](/molmil-images/mine/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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8D8W
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![BU of 8d8w by Molmil](/molmil-images/mine/8d8w) | Crystal structure of ChoE with Ser38 adopting alternative conformations | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ChoE, IODIDE 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 (1.4 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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8D8Y
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![BU of 8d8y by Molmil](/molmil-images/mine/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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8D90
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![BU of 8d90 by Molmil](/molmil-images/mine/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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8D8X
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![BU of 8d8x by Molmil](/molmil-images/mine/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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4X8Q
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![BU of 4x8q by Molmil](/molmil-images/mine/4x8q) | X-ray crystal structure of AlkD2 from Streptococcus mutans | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Mullins, E.A, Shi, R, Eichman, B.F. | Deposit date: | 2014-12-10 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | A New Family of HEAT-Like Repeat Proteins Lacking a Critical Substrate Recognition Motif Present in Related DNA Glycosylases. Plos One, 10, 2015
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6UQW
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![BU of 6uqw by Molmil](/molmil-images/mine/6uqw) | |
6UR1
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![BU of 6ur1 by Molmil](/molmil-images/mine/6ur1) | |
6UQZ
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![BU of 6uqz by Molmil](/molmil-images/mine/6uqz) | |
6UQY
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![BU of 6uqy by Molmil](/molmil-images/mine/6uqy) | |
6UR0
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![BU of 6ur0 by Molmil](/molmil-images/mine/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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6UQX
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![BU of 6uqx by Molmil](/molmil-images/mine/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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5I1V
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![BU of 5i1v by Molmil](/molmil-images/mine/5i1v) | |
5JMD
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![BU of 5jmd by Molmil](/molmil-images/mine/5jmd) | Heparinase III-BT4657 gene product, Methylated Lysines | Descriptor: | Heparinase III protein, MAGNESIUM ION | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | Deposit date: | 2016-04-28 | Release date: | 2016-05-25 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657). Glycobiology, 27, 2017
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5I1W
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![BU of 5i1w by Molmil](/molmil-images/mine/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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5JMF
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![BU of 5jmf by Molmil](/molmil-images/mine/5jmf) | Heparinase III-BT4657 gene product | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ... | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | Deposit date: | 2016-04-28 | Release date: | 2016-05-25 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657). Glycobiology, 27, 2017
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6AI6
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![BU of 6ai6 by Molmil](/molmil-images/mine/6ai6) | Crystal structure of SpCas9-NG | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ... | Authors: | Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O. | Deposit date: | 2018-08-21 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Engineered CRISPR-Cas9 nuclease with expanded targeting space Science, 361, 2018
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3OQ5
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![BU of 3oq5 by Molmil](/molmil-images/mine/3oq5) | Crystal structure of the 3-MBT domain from human L3MBTL1 in complex with p53K382me1 | Descriptor: | Cellular tumor antigen p53, Lethal(3)malignant brain tumor-like protein | Authors: | Roy, S, West, L.E, Weiner, K.L, Hayashi, R, Shi, X, Appella, E, Gozani, O, Kutateladze, T. | Deposit date: | 2010-09-02 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5005 Å) | Cite: | The MBT Repeats of L3MBTL1 Link SET8-mediated p53 Methylation at Lysine 382 to Target Gene Repression. J.Biol.Chem., 285, 2010
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6B02
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![BU of 6b02 by Molmil](/molmil-images/mine/6b02) | |
6B07
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![BU of 6b07 by Molmil](/molmil-images/mine/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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6B06
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![BU of 6b06 by Molmil](/molmil-images/mine/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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6B04
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![BU of 6b04 by Molmil](/molmil-images/mine/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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1OV4
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![BU of 1ov4 by Molmil](/molmil-images/mine/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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4URM
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![BU of 4urm by Molmil](/molmil-images/mine/4urm) | Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin | Descriptor: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA GYRASE SUBUNIT B | Authors: | Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. | Deposit date: | 2014-06-30 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Acs Chem.Biol., 9, 2014
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7VZT
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![BU of 7vzt by Molmil](/molmil-images/mine/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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