4UMY
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![BU of 4umy by Molmil](/molmil-images/mine/4umy) | IDH1 R132H in complex with cpd 1 | Descriptor: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McLean, L, Zhang, Y, Mathieu, M. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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5XJZ
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![BU of 5xjz by Molmil](/molmil-images/mine/5xjz) | Structure of DNA1-Ag complex | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE | Authors: | Liu, H.H, Gan, J.H. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs Angew. Chem. Int. Ed. Engl., 56, 2017
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5XK1
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![BU of 5xk1 by Molmil](/molmil-images/mine/5xk1) | Structure of 8-mer DNA3 | Descriptor: | DNA (5'-D(*GP*GP*AP*GP*CP*CP*CP*C)-3') | Authors: | Liu, H.H, Gan, J.H. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs. Angew. Chem. Int. Ed. Engl., 56, 2017
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7DKZ
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![BU of 7dkz by Molmil](/molmil-images/mine/7dkz) | Structure of plant photosystem I-light harvesting complex I supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, J, Yu, L.J, Wang, W. | Deposit date: | 2020-11-25 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structure of plant photosystem I-light harvesting complex I supercomplex at 2.4 angstrom resolution. J Integr Plant Biol, 63, 2021
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6L35
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![BU of 6l35 by Molmil](/molmil-images/mine/6l35) | PSI-LHCI Supercomplex from Physcometrella patens | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Zhao, L, Yan, Q.J, Qin, X.C. | Deposit date: | 2019-10-09 | Release date: | 2021-02-10 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens. Cell Discov, 7, 2021
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7X2H
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![BU of 7x2h by Molmil](/molmil-images/mine/7x2h) | |
7XD2
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![BU of 7xd2 by Molmil](/molmil-images/mine/7xd2) | |
7D6H
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6M08
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![BU of 6m08 by Molmil](/molmil-images/mine/6m08) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | Descriptor: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | Authors: | Hu, H.C, Xu, Y.C. | Deposit date: | 2020-02-20 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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5I8P
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![BU of 5i8p by Molmil](/molmil-images/mine/5i8p) | Crystal structure of LP_PLA2 in complex with novel inhibitor | Descriptor: | 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one, Platelet-activating factor acetylhydrolase | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2016-02-19 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors J.Med.Chem., 59, 2016
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6M32
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![BU of 6m32 by Molmil](/molmil-images/mine/6m32) | Cryo-EM structure of FMO-RC complex from green sulfur bacteria | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | Authors: | Chen, J.H, Zhang, X. | Deposit date: | 2020-03-02 | Release date: | 2020-11-25 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Architecture of the photosynthetic complex from a green sulfur bacterium. Science, 370, 2020
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7DPV
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![BU of 7dpv by Molmil](/molmil-images/mine/7dpv) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPU
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![BU of 7dpu by Molmil](/molmil-images/mine/7dpu) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPP
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![BU of 7dpp by Molmil](/molmil-images/mine/7dpp) | SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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6LY5
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![BU of 6ly5 by Molmil](/molmil-images/mine/6ly5) | Organization and energy transfer in a huge diatom PSI-FCPI supercomplex | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Xiong, P, Caizhe, X. | Deposit date: | 2020-02-13 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex. Nat Commun, 11, 2020
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7DNO
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![BU of 7dno by Molmil](/molmil-images/mine/7dno) | Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | Descriptor: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | Authors: | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | Deposit date: | 2020-12-10 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5. Molecules, 26, 2021
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7OK9
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![BU of 7ok9 by Molmil](/molmil-images/mine/7ok9) | |
7O49
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![BU of 7o49 by Molmil](/molmil-images/mine/7o49) | |
7O4B
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7O4A
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7O4C
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8F6R
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![BU of 8f6r by Molmil](/molmil-images/mine/8f6r) | CryoEM structure of designed modular protein oligomer C6-79 | Descriptor: | De novo designed oligomeric protein C6-79 | Authors: | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | Deposit date: | 2022-11-17 | Release date: | 2023-11-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies. Cell, 2024
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5LRM
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![BU of 5lrm by Molmil](/molmil-images/mine/5lrm) | Structure of di-zinc MCR-1 in P41212 space group | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
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8C0F
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![BU of 8c0f by Molmil](/molmil-images/mine/8c0f) | Tubulin-PTC596 complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ... | Authors: | Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O. | Deposit date: | 2022-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1005 Å) | Cite: | Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent Mol Cancer Ther, 20, 2021
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5LRN
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![BU of 5lrn by Molmil](/molmil-images/mine/5lrn) | Structure of mono-zinc MCR-1 in P21 space group | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION | Authors: | Hinchliffe, P, Paterson, N.G, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
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