6TQT
 
 | | The crystal structure of the MSP domain of human MOSPD2. | | Descriptor: | 1,2-ETHANEDIOL, Motile sperm domain-containing protein 2, PHOSPHATE ION | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | | Deposit date: | 2019-12-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
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6TME
 | | Monomeric LRX8 in complex with RALF4. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(3-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J. | | Deposit date: | 2019-12-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6UGQ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-206 | | Descriptor: | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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7R02
 | | Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R4E
 | | RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-08 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.00001168 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R2F
 | | Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-04 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R3C
 | | VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-07 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.40000415 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R0A
 | | Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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6QMB
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (closed state) | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
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6UH0
 | | Human Carbonic Anhydrase 2 in complex with SB4-202 | | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.306 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6QM9
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (open state) | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
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6QMA
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (intermediate state) | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
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6QM5
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in DDM | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
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6UGR
 | | Human Carbonic Anhydrase 2 complexed with SB4-208 | | Descriptor: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.307 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6UGZ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-208 | | Descriptor: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.306 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6UGO
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-205 | | Descriptor: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ... | | Authors: | Murray, A.B, McKenna, R, Lomelino, C.L. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.457 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6UGP
 | | Human Carbonic Anhydrase 2 complexed with SB4-206 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.306 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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8Q9P
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | | Descriptor: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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8Q9R
 | | Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif | | Descriptor: | Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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8Q9Q
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif | | Descriptor: | HDAC7 (histone deacetylase 7) binding motif peptide: GLY-VAL-VAL-LYS-GLN-LYS-LEU-ALA-GLU-VAL-ILE-LEU-LYS-LYS-GLN, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGTT, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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4Y0Z
 | | Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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6MP0
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the TRP1-M9 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TRP1-M9 peptide, Beta-2-microglobulin,H-2 class I histocompatibility antigen, ... | | Authors: | Clancy-Thompson, E, Devlin, C.A, Birnbaum, M.E, Dougan, S.K. | | Deposit date: | 2018-10-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Altered Binding of Tumor Antigenic Peptides to MHC Class I Affects CD8+T Cell-Effector Responses.
Cancer Immunol Res, 6, 2018
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4Y11
 | | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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6MP1
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the mutant TRP1-K8 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TRP1-K8 peptide, Beta-2-microglobulin,H-2 class I histocompatibility antigen, ... | | Authors: | Clancy-Thompson, E, Devlin, C.A, Birnbaum, M.E, Dougan, S.K. | | Deposit date: | 2018-10-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Altered Binding of Tumor Antigenic Peptides to MHC Class I Affects CD8+T Cell-Effector Responses.
Cancer Immunol Res, 6, 2018
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6FNW
 | | Structure of a volume-regulated anion channel of the LRRC8 family | | Descriptor: | 1,2-ETHANEDIOL, Volume-regulated anion channel subunit LRRC8A | | Authors: | Deneka, D, Sawicka, M, Lam, A.K.M, Paulino, C, Dutzler, R. | | Deposit date: | 2018-02-05 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a volume-regulated anion channel of the LRRC8 family.
Nature, 558, 2018
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