8IMU
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![BU of 8imu by Molmil](/molmil-images/mine/8imu) | Dihydroxyacid dehydratase (DHAD) mutant-V497F | Descriptor: | ACETATE ION, Dihydroxy-acid dehydratase, chloroplastic, ... | Authors: | Zhou, J, Zang, X, Tang, Y, Yan, Y. | Deposit date: | 2023-03-07 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Dihydroxyacid dehydratase (DHAD) mutant-V497F To Be Published
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5MXC
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![BU of 5mxc by Molmil](/molmil-images/mine/5mxc) | Aleuria aurantia lectin (AAL) N224Q mutant in complex with alpha-methyl-L-fucoside | Descriptor: | Fucose-specific lectin, GLYCEROL, methyl alpha-L-fucopyranoside | Authors: | Houser, J, Kozmon, S, Romano, P.R, Wimmerova, M. | Deposit date: | 2017-01-22 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. PLoS ONE, 12, 2017
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6T9B
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![BU of 6t9b by Molmil](/molmil-images/mine/6t9b) | Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside | Descriptor: | Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside | Authors: | Houser, J, Komarek, J, Kozmon, S, Wimmerova, M. | Deposit date: | 2019-10-26 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. Chemistry, 26, 2020
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6T99
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![BU of 6t99 by Molmil](/molmil-images/mine/6t99) | |
8CY5
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![BU of 8cy5 by Molmil](/molmil-images/mine/8cy5) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY3
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![BU of 8cy3 by Molmil](/molmil-images/mine/8cy3) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)propyl]adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY1
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![BU of 8cy1 by Molmil](/molmil-images/mine/8cy1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 19 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(5-phenylpentyl)adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXZ
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![BU of 8cxz by Molmil](/molmil-images/mine/8cxz) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(3-Phenylpropyl)adenosine (Compound 14) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(3-phenylpropyl)adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY0
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![BU of 8cy0 by Molmil](/molmil-images/mine/8cy0) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY4
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![BU of 8cy4 by Molmil](/molmil-images/mine/8cy4) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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6T9A
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![BU of 6t9a by Molmil](/molmil-images/mine/6t9a) | Crystal structrue of RSL W31FW76F lectin mutant in complex with L-fucose | Descriptor: | 1,2-ETHANEDIOL, Fucose-binding lectin protein, alpha-L-fucopyranose, ... | Authors: | Houser, J, Kozmon, S, Wimmerova, M. | Deposit date: | 2019-10-26 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. Chemistry, 26, 2020
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8HS0
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![BU of 8hs0 by Molmil](/molmil-images/mine/8hs0) | The mutant structure of DHAD V178W | Descriptor: | Dihydroxy-acid dehydratase, chloroplastic, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Zhou, J, Zang, X, Tang, Y, Yan, Y. | Deposit date: | 2022-12-16 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The mutant structure of DHAD To Be Published
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8FS1
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![BU of 8fs1 by Molmil](/molmil-images/mine/8fs1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8GRX
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![BU of 8grx by Molmil](/molmil-images/mine/8grx) | APOE4 receptor in complex with APOE4 NTD | Descriptor: | Apolipoprotein E, Leukocyte immunoglobulin-like receptor subfamily A member 6 | Authors: | Zhou, J, Wang, Y, Huang, G, Shi, Y. | Deposit date: | 2022-09-02 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | LilrB3 is a putative cell surface receptor of APOE4. Cell Res., 33, 2023
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7ETR
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![BU of 7etr by Molmil](/molmil-images/mine/7etr) | |
6T39
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![BU of 6t39 by Molmil](/molmil-images/mine/6t39) | Crystal structure of rsEGFP2 in its off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2019-10-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
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6T3A
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![BU of 6t3a by Molmil](/molmil-images/mine/6t3a) | Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2019-10-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
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7WUP
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![BU of 7wup by Molmil](/molmil-images/mine/7wup) | The crystal structure of ApiI | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ApiI, ... | Authors: | Zhou, J, Lu, J. | Deposit date: | 2022-02-09 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of ApiI To Be Published
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7WW0
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![BU of 7ww0 by Molmil](/molmil-images/mine/7ww0) | The crystal structure of FinI complex with SAH | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhou, J, Lu, J. | Deposit date: | 2022-02-12 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structure of FinI complex with SAH To Be Published
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7WUY
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![BU of 7wuy by Molmil](/molmil-images/mine/7wuy) | The crystal structure of FinI in complex with SAM and fischerin | Descriptor: | 1,2-ETHANEDIOL, 3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhou, J, Lu, J. | Deposit date: | 2022-02-09 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The crystal structure of FinI in complex with SAM and fischerin To Be Published
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6KCT
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6KBF
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![BU of 6kbf by Molmil](/molmil-images/mine/6kbf) | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3 | Descriptor: | (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Zhou, J, Fang, P. | Deposit date: | 2019-06-24 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase. Acs Chem.Biol., 15, 2020
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7X2N
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![BU of 7x2n by Molmil](/molmil-images/mine/7x2n) | Crystal structure of Diels-Alderase PycR1 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Zhou, J, Lu, J. | Deposit date: | 2022-02-25 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of hetero-Diels-Alderase PycR1 To Be Published
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7X2S
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![BU of 7x2s by Molmil](/molmil-images/mine/7x2s) | Crystal Structure of hetero-Diels-Alderase PycR1 in complex with Neosetophomone B and tropolone o-quinone methide | Descriptor: | (1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Zhou, J, Lu, J. | Deposit date: | 2022-02-26 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction To Be Published
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