6MG1
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![BU of 6mg1 by Molmil](/molmil-images/mine/6mg1) | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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6MBK
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![BU of 6mbk by Molmil](/molmil-images/mine/6mbk) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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6MBL
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![BU of 6mbl by Molmil](/molmil-images/mine/6mbl) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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6MBO
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![BU of 6mbo by Molmil](/molmil-images/mine/6mbo) | GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure. J. Med. Chem., 62, 2019
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6MG3
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![BU of 6mg3 by Molmil](/molmil-images/mine/6mg3) | V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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6MG2
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![BU of 6mg2 by Molmil](/molmil-images/mine/6mg2) | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.928 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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6MJR
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![BU of 6mjr by Molmil](/molmil-images/mine/6mjr) | Azurin 122W/124F/126Re | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | Deposit date: | 2018-09-21 | Release date: | 2019-02-20 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. ACS Cent Sci, 5, 2019
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6MJT
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![BU of 6mjt by Molmil](/molmil-images/mine/6mjt) | Azurin 122F/124W/126Re | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | Deposit date: | 2018-09-21 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. ACS Cent Sci, 5, 2019
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6ML6
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![BU of 6ml6 by Molmil](/molmil-images/mine/6ml6) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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2FKC
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![BU of 2fkc by Molmil](/molmil-images/mine/2fkc) | |
6MBJ
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![BU of 6mbj by Molmil](/molmil-images/mine/6mbj) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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6ML5
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![BU of 6ml5 by Molmil](/molmil-images/mine/6ml5) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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6MBP
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![BU of 6mbp by Molmil](/molmil-images/mine/6mbp) | GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.947 Å) | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure. J. Med. Chem., 62, 2019
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6ML4
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![BU of 6ml4 by Molmil](/molmil-images/mine/6ml4) | BTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 3) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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6JLJ
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![BU of 6jlj by Molmil](/molmil-images/mine/6jlj) | XFEL structure of cyanobacterial photosystem II (dark state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6JLM
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![BU of 6jlm by Molmil](/molmil-images/mine/6jlm) | XFEL structure of cyanobacterial photosystem II (dark state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6JLK
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![BU of 6jlk by Molmil](/molmil-images/mine/6jlk) | XFEL structure of cyanobacterial photosystem II (1F state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6N95
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![BU of 6n95 by Molmil](/molmil-images/mine/6n95) | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA | Descriptor: | (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | Deposit date: | 2018-11-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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2FL7
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![BU of 2fl7 by Molmil](/molmil-images/mine/2fl7) | S. cerevisiae Sir3 BAH domain | Descriptor: | Regulatory protein SIR3 | Authors: | Keck, J.L, Hou, Z, Daner, J.R, Fox, C.A. | Deposit date: | 2006-01-05 | Release date: | 2006-05-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the Sir3 protein bromo adjacent homology (BAH) domain from S. cerevisiae at 1.95 A resolution. Protein Sci., 15, 2006
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6N96
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![BU of 6n96 by Molmil](/molmil-images/mine/6n96) | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA | Descriptor: | (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, IMIDAZOLE, ... | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | Deposit date: | 2018-11-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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6ML2
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![BU of 6ml2 by Molmil](/molmil-images/mine/6ml2) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1) | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.874 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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2FKH
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![BU of 2fkh by Molmil](/molmil-images/mine/2fkh) | |
5V9P
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![BU of 5v9p by Molmil](/molmil-images/mine/5v9p) | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5UW3
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![BU of 5uw3 by Molmil](/molmil-images/mine/5uw3) | PCY1 in Complex with Follower Peptide | Descriptor: | CACODYLATE ION, Peptide cyclase 1, Presegetalin A1 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UZW
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![BU of 5uzw by Molmil](/molmil-images/mine/5uzw) | |