6VG0
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![BU of 6vg0 by Molmil](/molmil-images/mine/6vg0) | CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-07 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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6UTH
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6UTJ
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4G85
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![BU of 4g85 by Molmil](/molmil-images/mine/4g85) | Crystal structure of human HisRS | Descriptor: | Histidine-tRNA ligase, cytoplasmic | Authors: | Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P. | Deposit date: | 2012-07-21 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing. Structure, 20, 2012
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6UTI
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![BU of 6uti by Molmil](/molmil-images/mine/6uti) | |
6UOZ
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![BU of 6uoz by Molmil](/molmil-images/mine/6uoz) | |
6UTG
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6VEI
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![BU of 6vei by Molmil](/molmil-images/mine/6vei) | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-02 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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8SKH
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![BU of 8skh by Molmil](/molmil-images/mine/8skh) | Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors | Descriptor: | 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5 | Authors: | Knapp, M.S, Ornelas, E. | Deposit date: | 2023-04-19 | Release date: | 2023-06-07 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors. Chembiochem, 24, 2023
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8SK4
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6VFZ
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![BU of 6vfz by Molmil](/molmil-images/mine/6vfz) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-07 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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6WN2
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8HKC
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![BU of 8hkc by Molmil](/molmil-images/mine/8hkc) | Cryo-EM structure of E. coli RNAP sigma32 complex | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Wu, S, Ma, L.X. | Deposit date: | 2022-11-25 | Release date: | 2023-05-31 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structural Insight into the Mechanism of sigma 32-Mediated Transcription Initiation of Bacterial RNA Polymerase. Biomolecules, 13, 2023
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8EXH
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![BU of 8exh by Molmil](/molmil-images/mine/8exh) | Agrobacterium tumefaciens Tpilus | Descriptor: | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate, Protein virB2 | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-10-25 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery Nat Commun, 14, 2023
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6UJJ
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8DFU
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![BU of 8dfu by Molmil](/molmil-images/mine/8dfu) | Cryo-EM structure of conjugation pili from Aeropyrum pernix | Descriptor: | (2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate, Pilin protein | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-06-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery. Nat Commun, 14, 2023
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8DFT
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![BU of 8dft by Molmil](/molmil-images/mine/8dft) | Cryo-EM structure of conjugative pili from Pyrobaculum calidifontis | Descriptor: | Pilin protein, [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-06-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery. Nat Commun, 14, 2023
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4G84
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![BU of 4g84 by Molmil](/molmil-images/mine/4g84) | Crystal structure of human HisRS | Descriptor: | CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic, ... | Authors: | Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P. | Deposit date: | 2012-07-21 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing. Structure, 20, 2012
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8WOS
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![BU of 8wos by Molmil](/molmil-images/mine/8wos) | Cryo-EM structure of human SIDT1 protein with C1 symmetry at low pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Liu, W, Tang, M, Wang, J, Zhang, X, Wu, S, Ru, H. | Deposit date: | 2023-10-07 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structural insights into cholesterol transport and hydrolase activity of a putative human RNA transport protein SIDT1. Cell Discov, 10, 2024
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8WOR
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![BU of 8wor by Molmil](/molmil-images/mine/8wor) | Cryo-EM structure of human SIDT1 protein with C2 symmetry at neutral pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Liu, W, Tang, M, Wang, J, Zhang, X, Wu, S, Ru, H. | Deposit date: | 2023-10-07 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural insights into cholesterol transport and hydrolase activity of a putative human RNA transport protein SIDT1. Cell Discov, 10, 2024
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7EBO
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8WOQ
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![BU of 8woq by Molmil](/molmil-images/mine/8woq) | Cryo-EM structure of human SIDT1 protein with C1 symmetry at neutral pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Liu, W, Tang, M, Wang, J, Zhang, X, Wu, S, Ru, H. | Deposit date: | 2023-10-07 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural insights into cholesterol transport and hydrolase activity of a putative human RNA transport protein SIDT1. Cell Discov, 10, 2024
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8WOT
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![BU of 8wot by Molmil](/molmil-images/mine/8wot) | Cryo-EM structure of human SIDT1 protein with C2 symmetry at low pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Liu, W, Tang, M, Wang, J, Zhang, X, Wu, S, Ru, H. | Deposit date: | 2023-10-07 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural insights into cholesterol transport and hydrolase activity of a putative human RNA transport protein SIDT1. Cell Discov, 10, 2024
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5Z80
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![BU of 5z80 by Molmil](/molmil-images/mine/5z80) | Solution structure for the 1:1 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex | Descriptor: | 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER) | Authors: | Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W. | Deposit date: | 2018-01-30 | Release date: | 2018-09-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding Nat Commun, 9, 2018
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5Z8F
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![BU of 5z8f by Molmil](/molmil-images/mine/5z8f) | Solution structure for the unique dimeric 4:2 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex | Descriptor: | 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER) | Authors: | Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W. | Deposit date: | 2018-01-31 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding Nat Commun, 9, 2018
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