8AZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8azx by Molmil](/molmil-images/mine/8azx) | KRAS-G12C in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
|
|
8AZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8azv by Molmil](/molmil-images/mine/8azv) | KRAS in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
|
|
8AZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8azr by Molmil](/molmil-images/mine/8azr) | KRAS in complex with precursor 1 | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
|
|
8AZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8azg by Molmil](/molmil-images/mine/8azg) | |
8AZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8azc by Molmil](/molmil-images/mine/8azc) | |
8AZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8azb by Molmil](/molmil-images/mine/8azb) | |
8AZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8az8 by Molmil](/molmil-images/mine/8az8) | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2022-09-05 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. Int J Mol Sci, 23, 2022
|
|
8AYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ays by Molmil](/molmil-images/mine/8ays) | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2022-09-03 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. Int J Mol Sci, 23, 2022
|
|
8AYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayq by Molmil](/molmil-images/mine/8ayq) | NaK C-DI mutant with Rb+ and Ca2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-09-02 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. J.Chem.Inf.Model., 63, 2023
|
|
8AYP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayp by Molmil](/molmil-images/mine/8ayp) | NaK C-DI mutant with Rb+ and Ba2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-09-02 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. J.Chem.Inf.Model., 63, 2023
|
|
8AYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayk by Molmil](/molmil-images/mine/8ayk) | Crystal structure of D-amino acid aminotrensferase from Aminobacterium colombiense complexed with D-glutamate | Descriptor: | (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class IV | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2022-09-02 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense. Molecules, 28, 2023
|
|
8AYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayj by Molmil](/molmil-images/mine/8ayj) | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiens complexed with 3-aminooxypropionic acid | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV, ... | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2022-09-02 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity. Biochem.J., 480, 2023
|
|
8AYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayf by Molmil](/molmil-images/mine/8ayf) | Crystal structure of human Sphingosine-1-phosphate lyase 1 | Descriptor: | ACETATE ION, GLYCEROL, Sphingosine-1-phosphate lyase 1 | Authors: | Giardina, G, Catalano, F, Pampalone, G, Cellini, B. | Deposit date: | 2022-09-02 | Release date: | 2023-09-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Dual species sphingosine-1-phosphate lyase inhibitors to combine antifungal and anti-inflammatory activities in cystic fibrosis: a feasibility study. Sci Rep, 13, 2023
|
|
8AYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aya by Molmil](/molmil-images/mine/8aya) | |
8AY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay9 by Molmil](/molmil-images/mine/8ay9) | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL1, CHLORIDE ION, ... | Authors: | Infantes, L, Albert, A. | Deposit date: | 2022-09-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.281 Å) | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
|
|
8AY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay8 by Molmil](/molmil-images/mine/8ay8) | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB9-HAB1 TERNARY COMPLEX | Descriptor: | Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ... | Authors: | Infantes, L, Albert, A. | Deposit date: | 2022-09-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
|
|
8AY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay7 by Molmil](/molmil-images/mine/8ay7) | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB7-HAB1 TERNARY COMPLEX | Descriptor: | Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ... | Authors: | Infantes, L, Albert, A. | Deposit date: | 2022-09-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.131 Å) | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
|
|
8AY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay6 by Molmil](/molmil-images/mine/8ay6) | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-HAB1 TERNARY COMPLEX | Descriptor: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, Abscisic acid receptor PYL1, CHLORIDE ION, ... | Authors: | Infantes, L, Albert, A. | Deposit date: | 2022-09-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
|
|
8AY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay3 by Molmil](/molmil-images/mine/8ay3) | |
8AY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay1 by Molmil](/molmil-images/mine/8ay1) | Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ... | Authors: | Hurtado-Guerrero, R, Merino, P. | Deposit date: | 2022-09-01 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
8AY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ay0 by Molmil](/molmil-images/mine/8ay0) | Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide | Descriptor: | 1,2-ETHANEDIOL, Dipeptide-binding protein DppE, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | Authors: | Hughes, A.M, Dodson, E.J, Wilkinson, A.J. | Deposit date: | 2022-09-01 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE. Microbiology (Reading, Engl.), 168, 2022
|
|
8AXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8axz by Molmil](/molmil-images/mine/8axz) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid. | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | Deposit date: | 2022-09-01 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.154 Å) | Cite: | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid. To Be Published
|
|
8AXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8axx by Molmil](/molmil-images/mine/8axx) | Expanded Coxsackievirus A9 after treatment with endosomal ionic buffer | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Domanska, A, Plavec, Z, Ruokolainen, V, Loflund, B, Marjomaki, V.S, Butcher, S.J. | Deposit date: | 2022-09-01 | Release date: | 2022-10-19 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release. J.Virol., 96, 2022
|
|
8AXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8axw by Molmil](/molmil-images/mine/8axw) | The structure of mouse AsterC (GramD1c) with Ezetimibe | Descriptor: | (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ... | Authors: | Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R. | Deposit date: | 2022-09-01 | Release date: | 2023-09-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake. Science, 382, 2023
|
|
8AXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8axp by Molmil](/molmil-images/mine/8axp) | |