7XI7
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![BU of 7xi7 by Molmil](/molmil-images/mine/7xi7) | Human dihydrofolate reductase complexed with P39 | Descriptor: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2022-04-12 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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3A1B
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![BU of 3a1b by Molmil](/molmil-images/mine/3a1b) | Crystal structure of the DNMT3A ADD domain in complex with histone H3 | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, Histone H3.1, ... | Authors: | Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2009-03-28 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain Embo Rep., 10, 2009
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7DSY
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![BU of 7dsy by Molmil](/molmil-images/mine/7dsy) | Crystal Structure of RNase L in complex with KM05073 | Descriptor: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-01-03 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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3A1A
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![BU of 3a1a by Molmil](/molmil-images/mine/3a1a) | Crystal Structure of the DNMT3A ADD domain | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, ZINC ION | Authors: | Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2009-03-28 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain Embo Rep., 10, 2009
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7DTS
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![BU of 7dts by Molmil](/molmil-images/mine/7dts) | Crystal structure of RNase L in complex with AC40357 | Descriptor: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, Ribonuclease L, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-01-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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7ELW
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![BU of 7elw by Molmil](/molmil-images/mine/7elw) | Crystal structure of RNase L in complex with Myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-04-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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7FGX
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![BU of 7fgx by Molmil](/molmil-images/mine/7fgx) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7FGY
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![BU of 7fgy by Molmil](/molmil-images/mine/7fgy) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7FGW
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![BU of 7fgw by Molmil](/molmil-images/mine/7fgw) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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3UM5
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![BU of 3um5 by Molmil](/molmil-images/mine/3um5) | Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Kamchonwongpaisan, S, Chitnumsub, P, Yuthavong, Y. | Deposit date: | 2011-11-12 | Release date: | 2012-07-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil. Antimicrob.Agents Chemother., 56, 2012
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3UM6
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![BU of 3um6 by Molmil](/molmil-images/mine/3um6) | Double mutant (A16V+S108T) Plasmodium falciparum DHFR-TS (T9/94) complexed with cycloguanil, NADPH and dUMP | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y. | Deposit date: | 2011-11-12 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil. Antimicrob.Agents Chemother., 56, 2012
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3VYB
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![BU of 3vyb by Molmil](/molmil-images/mine/3vyb) | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/hmCG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-22 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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3VXX
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![BU of 3vxx by Molmil](/molmil-images/mine/3vxx) | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/5mCG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5CM)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-21 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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3VYQ
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![BU of 3vyq by Molmil](/molmil-images/mine/3vyq) | Crystal structure of the methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence in space group P1 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*AP*TP*CP*(5CM)P*GP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*TP*GP*GP*AP*TP*GP*T)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.525 Å) | Cite: | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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3UM8
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![BU of 3um8 by Molmil](/molmil-images/mine/3um8) | Wild-type Plasmodium falciparum DHFR-TS complexed with cycloguanil and NADPH | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Vanichtanankul, J, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y. | Deposit date: | 2011-11-12 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil. Antimicrob.Agents Chemother., 56, 2012
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3ZDR
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![BU of 3zdr by Molmil](/molmil-images/mine/3zdr) | Structure of the Alcohol dehydrogenase (ADH) domain of a bifunctional ADHE dehydrogenase from Geobacillus thermoglucosidasius NCIMB 11955 | Descriptor: | ALCOHOL DEHYDROGENASE DOMAIN OF THE BIFUNCTIONAL ACETALDEHYDE DEHYDROGENASE, GLYCEROL, SULFATE ION, ... | Authors: | Extance, J, Crennell, S.J, Eley, K, Cripps, R, Hough, D.W, Danson, M.J. | Deposit date: | 2012-11-30 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Structure of a Bifunctional Alcohol Dehydrogenase Involved in Bioethanol Generation in Geobacillus Thermoglucosidasius Acta Crystallogr.,Sect.D, 69, 2013
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3VXV
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![BU of 3vxv by Molmil](/molmil-images/mine/3vxv) | Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-21 | Release date: | 2013-01-16 | Last modified: | 2013-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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6QUT
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![BU of 6qut by Molmil](/molmil-images/mine/6qut) | |
6QN2
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![BU of 6qn2 by Molmil](/molmil-images/mine/6qn2) | |
6QN6
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![BU of 6qn6 by Molmil](/molmil-images/mine/6qn6) | |
6QN5
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![BU of 6qn5 by Molmil](/molmil-images/mine/6qn5) | |
4BF1
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![BU of 4bf1 by Molmil](/molmil-images/mine/4bf1) | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | Descriptor: | 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ... | Authors: | Tars, K, Leitans, J, Zalubovskis, R. | Deposit date: | 2013-03-13 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem., 21, 2013
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4BF6
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![BU of 4bf6 by Molmil](/molmil-images/mine/4bf6) | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | Descriptor: | 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Tars, K, Leitans, J, Zalubovskis, R. | Deposit date: | 2013-03-15 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem., 21, 2013
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7CTY
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![BU of 7cty by Molmil](/molmil-images/mine/7cty) | Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP | Descriptor: | Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2020-08-20 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
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7CTW
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![BU of 7ctw by Molmil](/molmil-images/mine/7ctw) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP | Descriptor: | 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2020-08-20 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
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