7SS7
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![BU of 7ss7 by Molmil](/molmil-images/mine/7ss7) | Crystal structure of Klebsiella LpxH in complex with JH-LPH-50 | Descriptor: | 1,2-ETHANEDIOL, 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide, MANGANESE (II) ION, ... | Authors: | Cho, J, Cochrane, C.S, Zhou, P. | Deposit date: | 2021-11-09 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH. Chemmedchem, 18, 2023
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6GA9
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![BU of 6ga9 by Molmil](/molmil-images/mine/6ga9) | BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6TRS
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![BU of 6trs by Molmil](/molmil-images/mine/6trs) | Crystal structure of TFIIH subunit p52 in complex with p8 | Descriptor: | RNA polymerase II transcription factor B subunit 2, Uncharacterized protein | Authors: | Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C. | Deposit date: | 2019-12-19 | Release date: | 2020-10-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH. Nucleic Acids Res., 48, 2020
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7NRP
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![BU of 7nrp by Molmil](/molmil-images/mine/7nrp) | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | Authors: | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | Deposit date: | 2021-03-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides. Nat Commun, 13, 2022
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5GR7
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![BU of 5gr7 by Molmil](/molmil-images/mine/5gr7) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-08 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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6G6R
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![BU of 6g6r by Molmil](/molmil-images/mine/6g6r) | Human Methionine Adenosyltransferase II with SAMe and PPNP | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
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2XIM
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![BU of 2xim by Molmil](/molmil-images/mine/2xim) | ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol | Authors: | Mrabet, N.T, Van Denbroek, A, Van Den Brande, I, Stanssens, P, Laroche, Y, Lambeir, A.-M, Matthyssens, G, Jenkins, J, Chiadmi, M, Vantilbeurgh, H, Rey, F, Janin, J, Quax, W.J, Lasters, I, Demaeyer, M, Wodak, S.J. | Deposit date: | 1991-05-29 | Release date: | 1993-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arginine residues as stabilizing elements in proteins. Biochemistry, 31, 1992
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2C2H
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![BU of 2c2h by Molmil](/molmil-images/mine/2c2h) | CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Debreczeni, J.E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, von Delft, F, Doyle, D, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-09-29 | Release date: | 2005-10-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Human Rac3 in Complex with Gdp To be Published
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7ZXA
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![BU of 7zxa by Molmil](/molmil-images/mine/7zxa) | Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-05-20 | Release date: | 2023-05-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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5GSR
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![BU of 5gsr by Molmil](/molmil-images/mine/5gsr) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A | Descriptor: | 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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2BU4
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![BU of 2bu4 by Molmil](/molmil-images/mine/2bu4) | RIBONUCLEASE T1 COMPLEX WITH 2'GMP | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | Authors: | Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J. | Deposit date: | 1998-09-14 | Release date: | 1998-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Conserved water molecules in a large family of microbial ribonucleases. Proteins, 36, 1999
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7TO4
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![BU of 7to4 by Molmil](/molmil-images/mine/7to4) | Structural and functional impact by SARS-CoV-2 Omicron spike mutations | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2022-01-22 | Release date: | 2022-02-16 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural and functional impact by SARS-CoV-2 Omicron spike mutations. Cell Rep, 39, 2022
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5K8V
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![BU of 5k8v by Molmil](/molmil-images/mine/5k8v) | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 4 (CARM1 130-487) with CP1 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. FEBS J., 284, 2017
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5GSB
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![BU of 5gsb by Molmil](/molmil-images/mine/5gsb) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-15 | Release date: | 2017-07-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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7TNW
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![BU of 7tnw by Molmil](/molmil-images/mine/7tnw) | Structural and functional impact by SARS-CoV-2 Omicron spike mutations | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2022-01-21 | Release date: | 2022-02-16 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional impact by SARS-CoV-2 Omicron spike mutations. Cell Rep, 39, 2022
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8A1V
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![BU of 8a1v by Molmil](/molmil-images/mine/8a1v) | Sodium pumping NADH-quinone oxidoreductase with substrate Q2 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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8A1W
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![BU of 8a1w by Molmil](/molmil-images/mine/8a1w) | Sodium pumping NADH-quinone oxidoreductase with substrate Q1 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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6PUI
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![BU of 6pui by Molmil](/molmil-images/mine/6pui) | Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U | Descriptor: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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5H1V
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![BU of 5h1v by Molmil](/molmil-images/mine/5h1v) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | Descriptor: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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8A1T
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![BU of 8a1t by Molmil](/molmil-images/mine/8a1t) | Sodium pumping NADH-quinone oxidoreductase | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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6TCY
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![BU of 6tcy by Molmil](/molmil-images/mine/6tcy) | |
8A1X
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![BU of 8a1x by Molmil](/molmil-images/mine/8a1x) | Sodium pumping NADH-quinone oxidoreductase with inhibitor DQA | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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6PUC
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![BU of 6puc by Molmil](/molmil-images/mine/6puc) | Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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8A1Y
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![BU of 8a1y by Molmil](/molmil-images/mine/8a1y) | Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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