7QTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qtk by Molmil](/molmil-images/mine/7qtk) | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD down - 1-P2G3 Fab (Local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ... | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | Deposit date: | 2022-01-14 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys. Nat Microbiol, 7, 2022
|
|
7NYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nyr by Molmil](/molmil-images/mine/7nyr) | |
5LZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lz4 by Molmil](/molmil-images/mine/5lz4) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
|
|
6W1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w1g by Molmil](/molmil-images/mine/6w1g) | Crystal structure of the hydroxyglutarate synthase from Pseudomonas putida | Descriptor: | Hydroxyglutarate synthase, NICKEL (II) ION | Authors: | Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D. | Deposit date: | 2020-03-04 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism. Nat Commun, 11, 2020
|
|
7QTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qtj by Molmil](/molmil-images/mine/7qtj) | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD up - 1-P2G3 and 1-P5C3 Fabs (Local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ... | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | Deposit date: | 2022-01-14 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (4.01 Å) | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys. Nat Microbiol, 7, 2022
|
|
5LV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lv2 by Molmil](/molmil-images/mine/5lv2) | Crystal structure of mouse CARM1 in complex with inhibitor LH1246 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
|
|
6CAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cae by Molmil](/molmil-images/mine/6cae) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with NOSO-95179 antibiotic and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Pantel, L, Florin, T, Dobosz-Bartoszek, M, Racine, E, Sarciaux, M, Serri, M, Houard, J, Campagne, J.M, Marcia de Figueiredo, R, Midrier, C, Gaudriault, S, Givaudan, A, Lanois, A, Forst, S, Aumelas, A, Cotteaux-Lautard, C, Bolla, J.M, Vingsbo Lundberg, C, Huseby, D, Hughes, D, Villain-Guillot, P, Mankin, A.S, Polikanov, Y.S, Gualtieri, M. | Deposit date: | 2018-01-30 | Release date: | 2018-04-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Odilorhabdins, Antibacterial Agents that Cause Miscoding by Binding at a New Ribosomal Site. Mol. Cell, 70, 2018
|
|
7ZRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zrm by Molmil](/molmil-images/mine/7zrm) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
|
|
6MQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mqk by Molmil](/molmil-images/mine/6mqk) | Crystal Structure of GTPase Domain of Human Septin 12 in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-12 | Authors: | Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C. | Deposit date: | 2018-10-10 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface. Iucrj, 7, 2020
|
|
5LT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lt8 by Molmil](/molmil-images/mine/5lt8) | |
6W8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w8h by Molmil](/molmil-images/mine/6w8h) | H-PGDS complexed with inhibitor 1Y | Descriptor: | 1,2-ETHANEDIOL, 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide, GLUTATHIONE, ... | Authors: | Shewchuk, L.M, Ward, P. | Deposit date: | 2020-03-20 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure. Bioorg.Med.Chem., 28, 2020
|
|
7ZRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zrl by Molmil](/molmil-images/mine/7zrl) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E2-P conformation, under turnover conditions | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
|
|
6XRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xrn by Molmil](/molmil-images/mine/6xrn) | Crystal structure of human PI3K-gamma in complex with Compound 17 | Descriptor: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2021-11-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ). J.Med.Chem., 65, 2022
|
|
4YIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yis by Molmil](/molmil-images/mine/4yis) | Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ... | Authors: | Hallinan, J.P, Kaiser, B.K, Stoddard, B.L. | Deposit date: | 2015-03-02 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity. Structure, 24, 2016
|
|
7QTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qta by Molmil](/molmil-images/mine/7qta) | S1 nuclease from Aspergillus oryzae in complex with uridine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | Authors: | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2022-01-14 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7OJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oj4 by Molmil](/molmil-images/mine/7oj4) | Crystal structure of apo NS3 helicase from tick-borne encephalitis virus | Descriptor: | NS3 helicase domain | Authors: | Anindita, P.D, Havlickova, P, Kascakova, B, Grinkevich, P, Brynda, J, Franta, Z. | Deposit date: | 2021-05-13 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase. J.Biol.Chem., 298, 2022
|
|
6QGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qgk by Molmil](/molmil-images/mine/6qgk) | Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound | Descriptor: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
7C0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c0x by Molmil](/molmil-images/mine/7c0x) | Crystal structure of a dinucleotide-binding protein (T240A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
|
|
7C0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c0y by Molmil](/molmil-images/mine/7c0y) | Crystal structure of a dinucleotide-binding protein (Y246A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
|
|
5ML4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ml4 by Molmil](/molmil-images/mine/5ml4) | The crystal structure of PDE6D in complex to inhibitor-7 | Descriptor: | 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Fansa, E.K, Martin-Gago, P, waldmann, H, Wittinghofer, A. | Deposit date: | 2016-12-06 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6WAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wam by Molmil](/molmil-images/mine/6wam) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor | Descriptor: | SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
|
|
7C0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c0f by Molmil](/molmil-images/mine/7c0f) | Crystal structure of a dinucleotide-binding protein of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
|
|
7C0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c0t by Molmil](/molmil-images/mine/7c0t) | Crystal structure of a dinucleotide-binding protein (N81A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
|
|
5ML6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ml6 by Molmil](/molmil-images/mine/5ml6) | The crystal structure of PDE6D in complex to inhibitor-8 | Descriptor: | 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Fansa, E.K, Martin-gago, P, Waldmann, H, Wittinghofer, A. | Deposit date: | 2016-12-06 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1A9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a9n by Molmil](/molmil-images/mine/1a9n) | |