7AAR
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![BU of 7aar by Molmil](/molmil-images/mine/7aar) | sugar/H+ symporter STP10 in inward open conformation | Descriptor: | CHLORIDE ION, Octyl Glucose Neopentyl Glycol, Sugar transport protein 10, ... | Authors: | Bavnhoej, L, Paulsen, P.A, Pedersen, B.P. | Deposit date: | 2020-09-04 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10. Nat.Plants, 7, 2021
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8CMB
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![BU of 8cmb by Molmil](/molmil-images/mine/8cmb) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMH
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![BU of 8cmh by Molmil](/molmil-images/mine/8cmh) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMC
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![BU of 8cmc by Molmil](/molmil-images/mine/8cmc) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMG
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![BU of 8cmg by Molmil](/molmil-images/mine/8cmg) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp14 peptide (orf1ab)6420-6434 | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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7OYI
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![BU of 7oyi by Molmil](/molmil-images/mine/7oyi) | Escherichia coli YtfE_E159L(MN) | Descriptor: | CHLORIDE ION, GLYCEROL, Iron-sulfur cluster repair protein YtfE, ... | Authors: | Silva, L.S.O, Matias, P, Romao, C.V, Saraiva, L.M. | Deposit date: | 2021-06-24 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Repair of Iron Center Proteins-A Different Class of Hemerythrin-like Proteins. Molecules, 27, 2022
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8EXZ
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![BU of 8exz by Molmil](/molmil-images/mine/8exz) | |
3IYR
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![BU of 3iyr by Molmil](/molmil-images/mine/3iyr) | tmRNA-SmpB: a journey to the center of the bacterial ribosome | Descriptor: | SsrA-binding protein, tmRNA | Authors: | Weis, F, Bron, P, Giudice, E, Rolland, J.P, Thomas, D, Felden, B, Gillet, R. | Deposit date: | 2010-04-16 | Release date: | 2010-10-20 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (13 Å) | Cite: | tmRNA-SmpB: a journey to the centre of the bacterial ribosome. Embo J., 29, 2010
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6LSP
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![BU of 6lsp by Molmil](/molmil-images/mine/6lsp) | |
4X5P
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![BU of 4x5p by Molmil](/molmil-images/mine/4x5p) | Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside | Descriptor: | 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.997 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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8K4Q
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8C1U
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![BU of 8c1u by Molmil](/molmil-images/mine/8c1u) | SFX structure of D.m(6-4)photolyase | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2022-12-21 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C69
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![BU of 8c69 by Molmil](/molmil-images/mine/8c69) | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6A
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![BU of 8c6a by Molmil](/molmil-images/mine/8c6a) | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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7NBY
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![BU of 7nby by Molmil](/molmil-images/mine/7nby) | Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | 5-nitro-1,3-thiazole, CHLORIDE ION, Main Protease, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. To Be Published
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8C6B
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![BU of 8c6b by Molmil](/molmil-images/mine/8c6b) | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6F
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![BU of 8c6f by Molmil](/molmil-images/mine/8c6f) | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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5I2K
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![BU of 5i2k by Molmil](/molmil-images/mine/5i2k) | Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19) | Descriptor: | 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-02-09 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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8H0R
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![BU of 8h0r by Molmil](/molmil-images/mine/8h0r) | |
6U8I
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![BU of 6u8i by Molmil](/molmil-images/mine/6u8i) | BRD4-BD2 in complex with the cyclic peptide 3.2_2 | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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7A6I
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![BU of 7a6i by Molmil](/molmil-images/mine/7a6i) | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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8CIY
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![BU of 8ciy by Molmil](/molmil-images/mine/8ciy) | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | Deposit date: | 2023-02-11 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins. Nat Commun, 15, 2024
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8CIX
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![BU of 8cix by Molmil](/molmil-images/mine/8cix) | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | Deposit date: | 2023-02-11 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins. Nat Commun, 15, 2024
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8EJV
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![BU of 8ejv by Molmil](/molmil-images/mine/8ejv) | The crystal structure of Pseudomonas putida PcaR in complex with succinate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Pham, C, Skarina, T, Di Leo, R, Stogios, P.J, Mahadevan, R, Savchenko, A. | Deposit date: | 2022-09-19 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The crystal structure of Pseudomonas putida PcaR in complex with succinate To Be Published
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8OWL
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![BU of 8owl by Molmil](/molmil-images/mine/8owl) | SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-6 | Descriptor: | ACETYL GROUP, SODIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, ... | Authors: | Hjorth-Jensen, S.J, Konrad, D.B, Quistgaard, E.M.H, Hansen, L.C, Novak, A, Chu, H, Jurasek, M, Zimmermann, T, Andersen, J.L, Baran, P.S, Nissen, P, Trauner, D. | Deposit date: | 2023-04-28 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Photoswitchable inhibitors of the sarco(endo)plasmic calcium pump To Be Published
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