5DSX
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![BU of 5dsx by Molmil](/molmil-images/mine/5dsx) | Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one] | Descriptor: | 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-17 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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5DT2
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![BU of 5dt2 by Molmil](/molmil-images/mine/5dt2) | Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine] | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-17 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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7VWA
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![BU of 7vwa by Molmil](/molmil-images/mine/7vwa) | |
7VW8
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![BU of 7vw8 by Molmil](/molmil-images/mine/7vw8) | |
7VW9
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![BU of 7vw9 by Molmil](/molmil-images/mine/7vw9) | |
5DRY
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![BU of 5dry by Molmil](/molmil-images/mine/5dry) | Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide] | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-16 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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5EEG
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![BU of 5eeg by Molmil](/molmil-images/mine/5eeg) | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with tetrazole-SAH | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[[(3~{S})-3-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol, Carminomycin 4-O-methyltransferase DnrK | Authors: | Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-22 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways. Acs Chem.Biol., 11, 2016
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8U8L
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![BU of 8u8l by Molmil](/molmil-images/mine/8u8l) | X-ray crystal structure of TEBP-2 MCD3 with ds DNA | Descriptor: | CESIUM ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*CP*TP*TP*AP*GP*GP*CP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*GP*CP*CP*TP*AP*AP*GP*CP*CP*TP*AP*AP*CP*A)-3'), ... | Authors: | Nandakumar, J, Padmanaban, S. | Deposit date: | 2023-09-18 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U8M
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![BU of 8u8m by Molmil](/molmil-images/mine/8u8m) | X-ray crystal structure of TEBP-1 MCD2 homodimer | Descriptor: | COBALT (II) ION, Double-strand telomeric DNA-binding proteins 1 | Authors: | Nandakumar, J, Padmanaban, S. | Deposit date: | 2023-09-18 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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7ZJ7
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![BU of 7zj7 by Molmil](/molmil-images/mine/7zj7) | X-31 Hemagglutinin Precursor HA0 at pH 4.8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | Authors: | Garcia-Moro, E, Rosenthal, P.B. | Deposit date: | 2022-04-08 | Release date: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZJ8
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![BU of 7zj8 by Molmil](/molmil-images/mine/7zj8) | X-31 Hemagglutinin Precursor HA0 at pH 7.5 after reneutralization | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | Authors: | Garcia-Moro, E, Rosenthal, P.B. | Deposit date: | 2022-04-08 | Release date: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH. Proc.Natl.Acad.Sci.USA, 119, 2022
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5EEH
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![BU of 5eeh by Molmil](/molmil-images/mine/5eeh) | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 2-chloro-4-nitrophenol | Descriptor: | 2-chloranyl-4-nitro-phenol, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-22 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways. Acs Chem.Biol., 11, 2016
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8AWI
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![BU of 8awi by Molmil](/molmil-images/mine/8awi) | Crystal structure of Human Transthyretin at 1.15 Angstrom resolution | Descriptor: | SODIUM ION, Transthyretin | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | Deposit date: | 2022-08-29 | Release date: | 2023-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
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7ZJ6
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![BU of 7zj6 by Molmil](/molmil-images/mine/7zj6) | X-31 Hemagglutinin Precursor HA0 at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | Authors: | Garcia-Moro, E, Rosenthal, P.B. | Deposit date: | 2022-04-08 | Release date: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH. Proc.Natl.Acad.Sci.USA, 119, 2022
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7D3I
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![BU of 7d3i by Molmil](/molmil-images/mine/7d3i) | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-19 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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8SBG
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![BU of 8sbg by Molmil](/molmil-images/mine/8sbg) | |
8SIJ
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![BU of 8sij by Molmil](/molmil-images/mine/8sij) | Crystal structure of F. varium tryptophanase | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ... | Authors: | Graboski, A.L, Redinbo, M.R. | Deposit date: | 2023-04-16 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023
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8SL7
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![BU of 8sl7 by Molmil](/molmil-images/mine/8sl7) | Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05 | Descriptor: | (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase | Authors: | Graboski, A.L, Redinbo, M.R. | Deposit date: | 2023-04-21 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023
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5DRT
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![BU of 5drt by Molmil](/molmil-images/mine/5drt) | Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide] | Descriptor: | 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-16 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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2P0X
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![BU of 2p0x by Molmil](/molmil-images/mine/2p0x) | solution structure of a non-biological ATP-binding protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ZINC ION, abiotic ATP-binding, ... | Authors: | Mansy, S.S, Szostak, J.W, Chaput, J.C. | Deposit date: | 2007-03-01 | Release date: | 2007-08-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein J.Mol.Biol., 371, 2007
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3TO4
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![BU of 3to4 by Molmil](/molmil-images/mine/3to4) | Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Patel, O, Rossjohn, J. | Deposit date: | 2011-09-04 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen. Proc.Natl.Acad.Sci.USA, 108, 2011
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7W26
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![BU of 7w26 by Molmil](/molmil-images/mine/7w26) | monolignol ferulate transferase | Descriptor: | Ferulate monolignol transferase | Authors: | Xi, L, Shuliu, D, Yue, F, Yi, Z. | Deposit date: | 2021-11-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates. Biochem.Biophys.Res.Commun., 594, 2022
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7EAX
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![BU of 7eax by Molmil](/molmil-images/mine/7eax) | Crystal complex of p53-V272M and antimony ion | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Tang, Y. | Deposit date: | 2021-03-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations. Cell Rep, 39, 2022
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7WA9
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![BU of 7wa9 by Molmil](/molmil-images/mine/7wa9) | |