8B2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b2m by Molmil](/molmil-images/mine/8b2m) | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia | Descriptor: | NICKEL (II) ION, Tannerella forsythia Potempin A (PotA) | Authors: | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-02-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci, 14, 2023
|
|
8B2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b2q by Molmil](/molmil-images/mine/8b2q) | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci, 14, 2023
|
|
7ZVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvc by Molmil](/molmil-images/mine/7zvc) | Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, GLY-GLY-GLY-GLY, ... | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Del Amo-Maestro, L, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
7ZVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zva by Molmil](/molmil-images/mine/7zva) | Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C-terminal peptidase, ... | Authors: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
7ZU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zu8 by Molmil](/molmil-images/mine/7zu8) | Crystal Structure of the zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 2.05 A resolution in presence of the crystallophore Lu-Xo4. | Descriptor: | 12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-11 | Release date: | 2022-08-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
7ZVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvb by Molmil](/molmil-images/mine/7zvb) | Crystal Structure of the mature form of the glutamic-class prolyl-endopeptidase neprosin at 2.35 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, TRIETHYLENE GLYCOL, ... | Authors: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
|
|
8VSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vsg by Molmil](/molmil-images/mine/8vsg) | SARS-CoV-2 main protease with covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Bell, J.A, Bandera, A.M. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
|
|
5C1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c1v by Molmil](/molmil-images/mine/5c1v) | CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN | Descriptor: | FE (III) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, ... | Authors: | Guasch, A, Fita, I, Perez-Luque, R, Aparicio, D, Aranguren-Ibanez, A, Perez-Riba, M. | Deposit date: | 2015-06-15 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization. Plos One, 10, 2015
|
|
7P8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8c by Molmil](/molmil-images/mine/7p8c) | Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with K+ | Descriptor: | POTASSIUM ION, Receiver domain of histidine kinase 4 | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
|
|
7P8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8d by Molmil](/molmil-images/mine/7p8d) | Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with Mg2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
|
|
7PQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pqf by Molmil](/molmil-images/mine/7pqf) | Crystal structure of Campylobacter jejuni DsbA2 | Descriptor: | Thiol:disulfide interchange protein DsbA/DsbL | Authors: | Wilk, P, Banas, A.M, Bocian-Ostrzycka, K.M, Jagusztyn-Krynicka, E.K. | Deposit date: | 2021-09-17 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. Int J Mol Sci, 22, 2021
|
|
7PQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pq7 by Molmil](/molmil-images/mine/7pq7) | Crystal structure of Campylobacter jejuni DsbA1 | Descriptor: | TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | Authors: | Wilk, P, Orlikowska, M, Banas, A.M, Bocian-Ostrzycka, K.M, Jagusztyn-Krynicka, E.K. | Deposit date: | 2021-09-16 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. Int J Mol Sci, 22, 2021
|
|
8P8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p8m by Molmil](/molmil-images/mine/8p8m) | Yeast 60S ribosomal subunit, RPL39 deletion | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-01 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Yeast 60S ribosomal subunit, RPL39 deletion To Be Published
|
|
8P8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p8u by Molmil](/molmil-images/mine/8p8u) | Yeast 60S ribosomal subunit | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-02 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Yeast 60S ribosomal subunit To Be Published
|
|
8P8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p8n by Molmil](/molmil-images/mine/8p8n) | Mouse RPL39 integrated into the yeast 60S ribosomal subunit | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-02 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Yeast 60S ribosomal subunit, RPL39 deletion To Be Published
|
|
8PFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pfr by Molmil](/molmil-images/mine/8pfr) | Mouse RPL39L integrated into the yeast 60S ribosomal subunit | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-16 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Mouse RPL39L integrated into the yeast 60S ribosomal subunit To Be Published
|
|
7P8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8e by Molmil](/molmil-images/mine/7p8e) | Crystal structure of the Receiver domain of M. truncatula cytokinin receptor MtCRE1 | Descriptor: | CALCIUM ION, Receiver domain of histidine kinase | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
|
|
7NSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nsd by Molmil](/molmil-images/mine/7nsd) | Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with ATP and calcium | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Vogt, M.S, Essen, L.-O, Banerjee, A. | Deposit date: | 2021-03-05 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family. J.Biol.Chem., 297, 2021
|
|
7NS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ns8 by Molmil](/molmil-images/mine/7ns8) | Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, Triphosphate tunnel metalloenzyme Saci_0718 | Authors: | Vogt, M.S, Essen, L.-O, Banerjee, A. | Deposit date: | 2021-03-05 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family. J.Biol.Chem., 297, 2021
|
|
7NSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nsf by Molmil](/molmil-images/mine/7nsf) | |
7TN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tn1 by Molmil](/molmil-images/mine/7tn1) | Multistate design to stabilize viral class I fusion proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | Authors: | Huang, J, Banerjee, A, Gonzalez, K, Mousa, J, Strauch, E. | Deposit date: | 2022-01-20 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A general computational design strategy for stabilizing viral class I fusion proteins. Nat Commun, 15, 2024
|
|
6QSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qsn by Molmil](/molmil-images/mine/6qsn) | Crystal structure of Yellow fever virus polymerase NS5A | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Boura, E, Dubankova, A. | Deposit date: | 2019-02-21 | Release date: | 2019-10-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Structure of the yellow fever NS5 protein reveals conserved drug targets shared among flaviviruses. Antiviral Res., 169, 2019
|
|
8KAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kab by Molmil](/molmil-images/mine/8kab) | |
7PQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pq8 by Molmil](/molmil-images/mine/7pq8) | Crystal structure of Campylobacter jejuni DsbA1 | Descriptor: | TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | Authors: | Orlikowska, M, Bocian-Ostrzycka, K.M, Banas, A.M, Jagusztyn-Krynicka, E.K. | Deposit date: | 2021-09-16 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.329 Å) | Cite: | Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. Int J Mol Sci, 22, 2021
|
|
7NS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ns9 by Molmil](/molmil-images/mine/7ns9) | Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and calcium | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vogt, M.S, Essen, L.-O, Banerjee, A. | Deposit date: | 2021-03-05 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family. J.Biol.Chem., 297, 2021
|
|