7FIN
 
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ... | | Authors: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-07-31 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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5KDT
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | | Descriptor: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2016-06-08 | | Release date: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.44 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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5XQP
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein (NFE6, AFP), P212121 form | | Descriptor: | Ice-structuring protein, SULFATE ION | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5XQU
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20I mutant (NFE6, AFP), P212121 form | | Descriptor: | Ice-structuring protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5XR0
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20T mutant (NFE6, AFP), P21 form | | Descriptor: | Ice-structuring protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7VAB
 | | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-28 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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8END
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8ENF
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8ENB
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4YMA
 | | Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109 | | Descriptor: | (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K. | | Deposit date: | 2015-03-06 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
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3PI5
 | | Crystal Structure of Human Beta Secretase in Complex with BFG356 | | Descriptor: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M. | | Deposit date: | 2010-11-05 | | Release date: | 2011-03-23 | | Last modified: | 2017-03-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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5HEZ
 | | JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 | | Descriptor: | CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2016-01-06 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity.
Sci Transl Med, 8, 2016
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6CSB
 | | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | Deposit date: | 2018-03-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
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7OAO
 | | Nanobody C5 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ... | | Authors: | Naismith, J.H, Mikolajek, H. | | Deposit date: | 2021-04-19 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAQ
 | | Nanobody H3 AND C1 bound to RBD with Kent mutation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Naismith, J.H, Mikolajek, H. | | Deposit date: | 2021-04-20 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAP
 | | Nanobody H3 AND C1 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ... | | Authors: | Naismith, J.H, Mikolajek, H. | | Deposit date: | 2021-04-19 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAN
 | | Nanobody C5 bound to Spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Naismith, J.H, Weckener, M. | | Deposit date: | 2021-04-19 | | Release date: | 2021-08-11 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAY
 | | Nanobody F2 bound to RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1 | | Authors: | Naismith, J.H, Mikolajek, H. | | Deposit date: | 2021-04-20 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAU
 | | Nanobody C5 bound to Kent variant RBD (N501Y) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ... | | Authors: | Naismith, J.H, Mikolajek, H. | | Deposit date: | 2021-04-20 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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6YN9
 | | MALT1(329-728) in complex with a sulfonamide containing compound | | Descriptor: | 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M. | | Deposit date: | 2020-04-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.558 Å) | | Cite: | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
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7FIY
 | | Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-01 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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8R5V
 | | Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide | | Descriptor: | 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic | | Authors: | Dolot, R, Jastrzebska, K, Antonczyk, P. | | Deposit date: | 2023-11-17 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of P-stereodefined morpholino dinucleoside-3',6'-thiophosphoramidates using unexpected activator.
To Be Published
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6YN8
 | | Human MALT1(334-719) in complex with a tetrazole containing compound | | Descriptor: | 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M. | | Deposit date: | 2020-04-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
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1NXZ
 | | X-Ray Crystal Structure of Protein yggj_haein of Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR73. | | Descriptor: | Hypothetical protein HI0303 | | Authors: | Forouhar, F, Shen, J, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-11 | | Release date: | 2003-03-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional assignment based on structural analysis: crystal structure of the yggJ protein (HI0303) of Haemophilus influenzae reveals an RNA methyltransferase with a deep trefoil knot.
Proteins, 53, 2003
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3MTA
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