6WAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6waa by Molmil](/molmil-images/mine/6waa) | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | Authors: | Noeske, J, Shu, W, Bellamacina, C. | Deposit date: | 2020-03-24 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria. J.Med.Chem., 63, 2020
|
|
8VW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vw4 by Molmil](/molmil-images/mine/8vw4) | Crystal structure of Cbl-b TKB bound to compound 26 | Descriptor: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
|
|
6QF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qf2 by Molmil](/molmil-images/mine/6qf2) | X-Ray structure of Thermolysin crystallized on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
|
|
8XIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xim by Molmil](/molmil-images/mine/8xim) | |
6QBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | Deposit date: | 2018-12-21 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
|
|
6TFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfz by Molmil](/molmil-images/mine/6tfz) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
4UZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uzb by Molmil](/molmil-images/mine/4uzb) | KSHV LANA (ORF73) C-terminal domain mutant bound to LBS1 DNA (R1039Q, R1040Q, K1055E, K1109A, D1110A, A1121E, K1138S, K1140D, K1141D) | Descriptor: | LANA BINDING SITE 1 DNA, ORF 73 | Authors: | Hellert, J, Krausze, J, Luhrs, T. | Deposit date: | 2014-09-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.865 Å) | Cite: | The 3D Structure of Kaposi Sarcoma Herpesvirus Lana C-Terminal Domain Bound to DNA. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6ZE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ze5 by Molmil](/molmil-images/mine/6ze5) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine | Descriptor: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ze6 by Molmil](/molmil-images/mine/6ze6) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-nitrocatechol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-NITROCATECHOL, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ze7 by Molmil](/molmil-images/mine/6ze7) | Chaetomium thermophilum FAD-dependent oxidoreductase in complex with 4-nitrophenol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ze3 by Molmil](/molmil-images/mine/6ze3) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment (4-methoxycarbonylphenyl)methylazanium | Descriptor: | (4-methoxycarbonylphenyl)methylazanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ze4 by Molmil](/molmil-images/mine/6ze4) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ze2 by Molmil](/molmil-images/mine/6ze2) | FAD-dependent oxidoreductase from Chaetomium thermophilum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
|
|
4WLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wla by Molmil](/molmil-images/mine/4wla) | |
7OMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7omn by Molmil](/molmil-images/mine/7omn) | Anti-EphA1 JD1-1 VH domain | Descriptor: | GLYCEROL, IMIDAZOLE, JD1-1 VH domain | Authors: | Ereno Orbea, J, Nilvebrant, J, Sidhu, S, Julien, J.P. | Deposit date: | 2021-05-24 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Systematic Engineering of Optimized Autonomous Heavy-Chain Variable Domains. J.Mol.Biol., 433, 2021
|
|
6WXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wxj by Molmil](/molmil-images/mine/6wxj) | CSF1R signaling is a regulator of pathogenesis in progressive MS | Descriptor: | 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Liu, J. | Deposit date: | 2020-05-10 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | CSF1R signaling is a regulator of pathogenesis in progressive MS. Cell Death Dis, 11, 2020
|
|
7YVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yve by Molmil](/molmil-images/mine/7yve) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
2YGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ygd by Molmil](/molmil-images/mine/2ygd) | Molecular architectures of the 24meric eye lens chaperone alphaB- crystallin elucidated by a triple hybrid approach | Descriptor: | ALPHA-CRYSTALLIN B CHAIN | Authors: | Braun, N, Zacharias, M, Peschek, J, Kastenmueller, A, Zou, J, Hanzlik, M, Haslbeck, M, Rappsilber, J, Buchner, J, Weinkauf, S. | Deposit date: | 2011-04-13 | Release date: | 2011-12-07 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | Multiple Molecular Architectures of the Eye Lens Chaperone Alpha Beta-Crystallin Elucidated by a Triple Hybrid Approach Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
7YVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvp by Molmil](/molmil-images/mine/7yvp) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
7YVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvg by Molmil](/molmil-images/mine/7yvg) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
7YVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvk by Molmil](/molmil-images/mine/7yvk) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
7YVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvn by Molmil](/molmil-images/mine/7yvn) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
7YVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvo by Molmil](/molmil-images/mine/7yvo) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
7YVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvm by Molmil](/molmil-images/mine/7yvm) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab | Descriptor: | Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
7YVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvh by Molmil](/molmil-images/mine/7yvh) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab | Descriptor: | Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|