8K0D
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8K0C
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3UQP
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![BU of 3uqp by Molmil](/molmil-images/mine/3uqp) | Crystal structure of Bace1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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6DXL
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![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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3UQR
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![BU of 3uqr by Molmil](/molmil-images/mine/3uqr) | Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.056 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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6CKO
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![BU of 6cko by Molmil](/molmil-images/mine/6cko) | Crystal structure of an AF10 fragment | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10, ... | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-28 | Release date: | 2018-03-21 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis. Genes Dev., 32, 2018
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1RU2
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6AJ2
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![BU of 6aj2 by Molmil](/molmil-images/mine/6aj2) | The structure of ICAM-5 triggered Enterovirus D68 virus A-particle | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | Deposit date: | 2018-08-26 | Release date: | 2018-11-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization Nat Microbiol, 4, 2019
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6AJ3
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![BU of 6aj3 by Molmil](/molmil-images/mine/6aj3) | The structure of Enterovirus D68 procapsid | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | Deposit date: | 2018-08-26 | Release date: | 2018-11-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization Nat Microbiol, 4, 2019
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6AJ7
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![BU of 6aj7 by Molmil](/molmil-images/mine/6aj7) | The structure of Enterovirus D68 mature virion in complex with Fab 15C5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | Deposit date: | 2018-08-27 | Release date: | 2018-11-07 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization Nat Microbiol, 4, 2019
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2MVT
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![BU of 2mvt by Molmil](/molmil-images/mine/2mvt) | Solution structure of scoloptoxin SSD609 from Scolopendra mutilans | Descriptor: | Scoloptoxin SSD609 | Authors: | Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C. | Deposit date: | 2014-10-14 | Release date: | 2015-09-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit. Sci Rep, 5, 2015
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1THG
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![BU of 1thg by Molmil](/molmil-images/mine/1thg) | 1.8 ANGSTROMS REFINED STRUCTURE OF THE LIPASE FROM GEOTRICHUM CANDIDUM | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Schrag, J.D, Cygler, M. | Deposit date: | 1992-07-28 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 A refined structure of the lipase from Geotrichum candidum. J.Mol.Biol., 230, 1993
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2F3A
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8INZ
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![BU of 8inz by Molmil](/molmil-images/mine/8inz) | Cryo-EM structure of human HCN3 channel in apo state | Descriptor: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | Authors: | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | Deposit date: | 2023-03-10 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Cryo-EM structure of human HCN3 channel and its regulation by cAMP. J.Biol.Chem., 300, 2024
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5W0X
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![BU of 5w0x by Molmil](/molmil-images/mine/5w0x) | Crystal structure of mouse TOR signaling pathway regulator-like (TIPRL) delta 94-103 | Descriptor: | TIP41-like protein | Authors: | Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y. | Deposit date: | 2017-06-01 | Release date: | 2018-01-17 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.717 Å) | Cite: | Methylation-regulated decommissioning of multimeric PP2A complexes. Nat Commun, 8, 2017
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3LHG
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![BU of 3lhg by Molmil](/molmil-images/mine/3lhg) | Bace1 in complex with the aminohydantoin Compound 4g | Descriptor: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2010-01-22 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyridinyl aminohydantoins as small molecule BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5W0W
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![BU of 5w0w by Molmil](/molmil-images/mine/5w0w) | Crystal structure of Protein Phosphatase 2A bound to TIPRL | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, ... | Authors: | Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y. | Deposit date: | 2017-06-01 | Release date: | 2018-01-17 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Methylation-regulated decommissioning of multimeric PP2A complexes. Nat Commun, 8, 2017
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7RN2
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![BU of 7rn2 by Molmil](/molmil-images/mine/7rn2) | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-28 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7RMD
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![BU of 7rmd by Molmil](/molmil-images/mine/7rmd) | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7ZJS
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3QT0
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![BU of 3qt0 by Molmil](/molmil-images/mine/3qt0) | Revealing a steroid receptor ligand as a unique PPARgamma agonist | Descriptor: | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma | Authors: | Rong, H. | Deposit date: | 2011-02-22 | Release date: | 2012-02-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Revealing a steroid receptor ligand as a unique PPAR gamma agonist. Cell Res., 22, 2012
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2FCG
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![BU of 2fcg by Molmil](/molmil-images/mine/2fcg) | Solution structure of the C-terminal fragment of human LL-37 | Descriptor: | Antibacterial protein FALL-39, core peptide | Authors: | Wang, G, Li, X. | Deposit date: | 2005-12-12 | Release date: | 2006-05-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region. J.Am.Chem.Soc., 128, 2006
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2FBU
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![BU of 2fbu by Molmil](/molmil-images/mine/2fbu) | Solution structure of the N-terminal fragment of human LL-37 | Descriptor: | Antibacterial protein FALL-39, core peptide | Authors: | Wang, G, Li, X. | Deposit date: | 2005-12-10 | Release date: | 2006-05-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region J.Am.Chem.Soc., 128, 2006
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3WJM
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![BU of 3wjm by Molmil](/molmil-images/mine/3wjm) | Crystal structure of Bombyx mori Sp2/Sp3 heterohexamer | Descriptor: | Arylphorin, Silkworm storage protein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yuan, Y.A, Hou, Y. | Deposit date: | 2013-10-11 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Bombyx mori arylphorins reveals a 3:3 heterohexamer with multiple papain cleavage sites Protein Sci., 23, 2014
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1BO9
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