7Q7Q
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![BU of 7q7q by Molmil](/molmil-images/mine/7q7q) | LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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8VEY
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![BU of 8vey by Molmil](/molmil-images/mine/8vey) | Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908 | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | Authors: | Whittington, D.A. | Deposit date: | 2023-12-20 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
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6VO0
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![BU of 6vo0 by Molmil](/molmil-images/mine/6vo0) | BG505 SOSIP.v5.2 in complex with rabbit Fab 43A2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 43A2 heavy chain, ... | Authors: | Nogal, B, Cottrell, C.A, Ward, A.B. | Deposit date: | 2020-01-29 | Release date: | 2020-07-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | HIV envelope trimer-elicited autologous neutralizing antibodies bind a region overlapping the N332 glycan supersite. Sci Adv, 6, 2020
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7Q7P
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![BU of 7q7p by Molmil](/molmil-images/mine/7q7p) | LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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6YH3
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![BU of 6yh3 by Molmil](/molmil-images/mine/6yh3) | tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-28 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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8B9U
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![BU of 8b9u by Molmil](/molmil-images/mine/8b9u) | |
6S8C
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![BU of 6s8c by Molmil](/molmil-images/mine/6s8c) | |
7Q52
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![BU of 7q52 by Molmil](/molmil-images/mine/7q52) | Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W | Descriptor: | 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ... | Authors: | Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M. | Deposit date: | 2021-11-02 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors. J.Med.Chem., 65, 2022
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6YIY
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6C65
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![BU of 6c65 by Molmil](/molmil-images/mine/6c65) | Crystal Structure of the Mango-II-A22U Fluorescent Aptamer Bound to TO1-Biotin | Descriptor: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (35-MER), ... | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | Deposit date: | 2018-01-17 | Release date: | 2018-08-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.80005169 Å) | Cite: | Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry, 57, 2018
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6SMB
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![BU of 6smb by Molmil](/molmil-images/mine/6smb) | Human jak1 kinase domain in complex with inhibitor | Descriptor: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | Authors: | Read, J.A, Steuber, H. | Deposit date: | 2019-08-21 | Release date: | 2020-04-29 | Last modified: | 2020-05-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J.Med.Chem., 63, 2020
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8VET
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![BU of 8vet by Molmil](/molmil-images/mine/8vet) | |
4RPZ
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![BU of 4rpz by Molmil](/molmil-images/mine/4rpz) | Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MgCl2 for 60 s | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Vyas, R, Reed, A.J, Suo, Z. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc., 137, 2015
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7NET
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![BU of 7net by Molmil](/molmil-images/mine/7net) | |
8VEU
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![BU of 8veu by Molmil](/molmil-images/mine/8veu) | |
4RQA
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![BU of 4rqa by Molmil](/molmil-images/mine/4rqa) | |
8EWY
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![BU of 8ewy by Molmil](/molmil-images/mine/8ewy) | Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ... | Authors: | Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C. | Deposit date: | 2022-10-24 | Release date: | 2023-03-08 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural basis of Janus kinase trans-activation. Cell Rep, 42, 2023
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7L7F
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![BU of 7l7f by Molmil](/molmil-images/mine/7l7f) | |
6DUF
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![BU of 6duf by Molmil](/molmil-images/mine/6duf) | Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-06-20 | Release date: | 2018-08-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.963 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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8Q9N
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![BU of 8q9n by Molmil](/molmil-images/mine/8q9n) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and MITR deacetylase binding motif mutant L151V. | Descriptor: | DIMETHYL SULFOXIDE, DNA MADS box, MEF2D protein, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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7STL
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![BU of 7stl by Molmil](/molmil-images/mine/7stl) | Chitin Synthase 2 from Candida albicans at the apo state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | Deposit date: | 2021-11-14 | Release date: | 2022-07-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans. Nat.Struct.Mol.Biol., 29, 2022
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6BZ5
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![BU of 6bz5 by Molmil](/molmil-images/mine/6bz5) | |
5HD4
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![BU of 5hd4 by Molmil](/molmil-images/mine/5hd4) | Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
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6W0L
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![BU of 6w0l by Molmil](/molmil-images/mine/6w0l) | Henipavirus W protein interacts with 14-3-3 to modulate host gene expression | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide | Authors: | Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C. | Deposit date: | 2020-03-01 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression. J.Virol., 94, 2020
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5IOI
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![BU of 5ioi by Molmil](/molmil-images/mine/5ioi) | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | Descriptor: | Neuronal migration protein doublecortin | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | Deposit date: | 2016-03-08 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
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