7QU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qu3 by Molmil](/molmil-images/mine/7qu3) | X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | Descriptor: | 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
|
|
6P5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p5p by Molmil](/molmil-images/mine/6p5p) | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | Descriptor: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2019-05-30 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent. J.Med.Chem., 63, 2020
|
|
6P2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p2d by Molmil](/molmil-images/mine/6p2d) | Structure of mouse ketohexokinase-C in complex with fructose and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, NITRATE ION, ... | Authors: | Gasper, W.C, Allen, K.N, Tolan, D.R. | Deposit date: | 2019-05-21 | Release date: | 2020-06-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Michaelis-like complex of mouse ketohexokinase isoform C ACTA CRYSTALLOGR.,SECT.D, 2024
|
|
6N16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n16 by Molmil](/molmil-images/mine/6n16) | |
8C89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c89 by Molmil](/molmil-images/mine/8c89) | SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) | Descriptor: | 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. | Deposit date: | 2023-01-19 | Release date: | 2024-01-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.41 Å) | Cite: | A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity. Nat Commun, 15, 2024
|
|
6P8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p8k by Molmil](/molmil-images/mine/6p8k) | Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX | Descriptor: | Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ... | Authors: | Taylor, A.B, Cioloboc, D, Kurtz, D.M. | Deposit date: | 2019-06-07 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction. Biochemistry, 59, 2020
|
|
6N1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n1x by Molmil](/molmil-images/mine/6n1x) | BshA from Staphylococcus aureus complexed with UDP and N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Royer, C.R, Cook, P.D. | Deposit date: | 2018-11-12 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A structural and functional analysis of the glycosyltransferase BshA from Staphylococcus aureus: Insights into the reaction mechanism and regulation of bacillithiol production. Protein Sci., 28, 2019
|
|
6MYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6myk by Molmil](/molmil-images/mine/6myk) | Pleurotus ostreatus OstreolysinA mutant E69A with Bis-Tris | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ostreolysin A6, ... | Authors: | Tomchick, D.R, Radhakrishnan, A, Endapally, S. | Deposit date: | 2018-11-01 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Discrimination between Two Conformations of Sphingomyelin in Plasma Membranes. Cell, 176, 2019
|
|
8F5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f5h by Molmil](/molmil-images/mine/8f5h) | |
7NQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nqa by Molmil](/molmil-images/mine/7nqa) | Crystal structure of Nucleoporin-98 nanobody MS98-6 complex solved at 2.2A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Nup98 Nanobody MS98-6, Nuclear pore complex protein Nup98-Nup96, ... | Authors: | Sola-Colom, M, Trakhanov, S, Goerlich, D. | Deposit date: | 2021-03-01 | Release date: | 2021-07-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 2024
|
|
4V9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v9d by Molmil](/molmil-images/mine/4v9d) | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Dunkle, J.A, Wang, L, Feldman, M.B, Pulk, A, Chen, V.B, Kapral, G.J, Noeske, J, Richardson, J.S, Blanchard, S.C, Cate, J.H.D. | Deposit date: | 2012-07-31 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding. Science, 332, 2011
|
|
5K9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k9k by Molmil](/molmil-images/mine/5k9k) | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-31 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
|
|
7SQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sq1 by Molmil](/molmil-images/mine/7sq1) | BG505.MD39TS Env trimer in complex with Fab from antibody C05 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C05 Fab Light chain, ... | Authors: | Moore, A, Du, J, Xu, Z, Walker, S, Kulp, D.W, Pallesen, J. | Deposit date: | 2021-11-04 | Release date: | 2022-06-22 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Induction of tier-2 neutralizing antibodies in mice with a DNA-encoded HIV envelope native like trimer. Nat Commun, 13, 2022
|
|
6PF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pf3 by Molmil](/molmil-images/mine/6pf3) | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
|
|
6PFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pfd by Molmil](/molmil-images/mine/6pfd) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid. | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.324 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
|
|
7QEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qew by Molmil](/molmil-images/mine/7qew) | human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4 | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | Deposit date: | 2021-12-03 | Release date: | 2022-03-30 | Last modified: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qey by Molmil](/molmil-images/mine/7qey) | human Connexin 26 class 1 hexamer at 90mmHg PCO2, pH7.4 | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | Deposit date: | 2021-12-03 | Release date: | 2022-03-30 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7O8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o8k by Molmil](/molmil-images/mine/7o8k) | NmHR light state structure at 300 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
|
|
7O8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o8m by Molmil](/molmil-images/mine/7o8m) | NmHR light state structure at 2.5 ms (0 - 5 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
|
|
6PD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pd1 by Molmil](/molmil-images/mine/6pd1) | |
7O8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o8q by Molmil](/molmil-images/mine/7o8q) | NmHR light state structure at 22.5 ms (20 - 25 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
|
|
7O8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o8z by Molmil](/molmil-images/mine/7o8z) | Anomalous bromide substructure of NmHR under continuous illumination determined at 13.7 keV with serial crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BROMIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
|
|
7QCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qco by Molmil](/molmil-images/mine/7qco) | The structure of Photosystem I tetramer from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CHLOROPHYLL A, ... | Authors: | Semchonok, D.A, Mondal, J, Cooper, J.C, Schlum, K, Li, M, Amin, M, Sorzano, C.O.S, Ramirez-Aportela, E, Kastritis, P.L, Boekema, E.J, Guskov, A, Bruce, B.D. | Deposit date: | 2021-11-24 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium. Plant Commun., 3, 2022
|
|
7O8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o8p by Molmil](/molmil-images/mine/7o8p) | NmHR light state structure at 17.5 ms (15 - 20 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
|
|
6PF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pf8 by Molmil](/molmil-images/mine/6pf8) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.533 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
|
|