8K9G
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![BU of 8k9g by Molmil](/molmil-images/mine/8k9g) | Cryo-EM structure of Crt-SPARTA-gRNA-tDNA dimer (conformation-1) | Descriptor: | DNA (45-mer), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*GP*GP*UP*AP*GP*UP*AP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*U)-3'), ... | Authors: | Gao, X, Shang, K, Zhu, K, Wang, L, Mu, Z, Fu, X, Yu, X, Qin, B, Zhu, H, Ding, W, Cui, S. | Deposit date: | 2023-08-01 | Release date: | 2023-10-18 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Nucleic-acid-triggered NADase activation of a short prokaryotic Argonaute. Nature, 625, 2024
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7XC6
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7WWS
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![BU of 7wws by Molmil](/molmil-images/mine/7wws) | Structure of a triple-helix region of human collagen type III from Trautec | Descriptor: | Collagen alpha-1(III) chain | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | Deposit date: | 2022-02-14 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of a triple-helix region of human collagen type III from Trautec To Be Published
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7WWR
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![BU of 7wwr by Molmil](/molmil-images/mine/7wwr) | Structure of a triple-helix region of human collagen type III from Trautec | Descriptor: | Collagen alpha-1(III) chain | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | Deposit date: | 2022-02-14 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of a triple-helix region of human collagen type III from Trautec To Be Published
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7XAN
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![BU of 7xan by Molmil](/molmil-images/mine/7xan) | Structure of a triple-helix region of human collagen type III from Trautec | Descriptor: | Collagen alpha-1(III) chain | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a triple-helix region of human collagen type III from Trautec To Be Published
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7WVK
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![BU of 7wvk by Molmil](/molmil-images/mine/7wvk) | Crystal structure of human WDR5 in complex with compound 19 | Descriptor: | 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ... | Authors: | Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F. | Deposit date: | 2022-02-10 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma. Acta Pharmacol.Sin., 44, 2023
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8GQE
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![BU of 8gqe by Molmil](/molmil-images/mine/8gqe) | Crystal structure of the W285A mutant of UVR8 in complex with RUP2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2 | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P. | Deposit date: | 2022-08-30 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RUP2 facilitates UVR8 redimerization via two interfaces. Plant Commun., 4, 2023
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4U44
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![BU of 4u44 by Molmil](/molmil-images/mine/4u44) | MAP4K4 in complex with inhibitor (compound 16) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U43
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![BU of 4u43 by Molmil](/molmil-images/mine/4u43) | MAP4K4 in complex with inhibitor (compound 6) | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U45
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![BU of 4u45 by Molmil](/molmil-images/mine/4u45) | MAP4K4 in complex with inhibitor (compound 25) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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8DZB
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![BU of 8dzb by Molmil](/molmil-images/mine/8dzb) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11 | Descriptor: | 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2022-08-06 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold. Chemistry, 29, 2023
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8DZC
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![BU of 8dzc by Molmil](/molmil-images/mine/8dzc) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17 | Descriptor: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2022-08-06 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold. Chemistry, 29, 2023
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7CBZ
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![BU of 7cbz by Molmil](/molmil-images/mine/7cbz) | Crystal structure of T2R-TTL-A31 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Yang, J.H, Yan, W. | Deposit date: | 2020-06-15 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure. J.Med.Chem., 64, 2021
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1BM5
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8WD8
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![BU of 8wd8 by Molmil](/molmil-images/mine/8wd8) | Cryo-EM structure of TtdAgo-guide DNA-target DNA complex | Descriptor: | Argonaute family protein, Guide DNA, MAGNESIUM ION, ... | Authors: | Zhuang, L. | Deposit date: | 2023-09-14 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute. Mol.Cell, 84, 2024
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6L5T
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![BU of 6l5t by Molmil](/molmil-images/mine/6l5t) | The crystal structure of SADS-CoV Papain Like protease | Descriptor: | Peptidase C16, ZINC ION | Authors: | Fan, C.P. | Deposit date: | 2019-10-24 | Release date: | 2020-04-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural and biochemical characterization of SADS-CoV papain-like protease 2. Protein Sci., 29, 2020
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7TYJ
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![BU of 7tyj by Molmil](/molmil-images/mine/7tyj) | Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was focused on one of two halves with C1 symmetry applied | Descriptor: | Insulin receptor-related protein | Authors: | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | Deposit date: | 2022-02-13 | Release date: | 2023-02-15 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor. Nat.Struct.Mol.Biol., 30, 2023
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7TYK
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![BU of 7tyk by Molmil](/molmil-images/mine/7tyk) | Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was applied with C2 symmetry | Descriptor: | Insulin receptor-related protein | Authors: | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | Deposit date: | 2022-02-13 | Release date: | 2023-02-15 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor. Nat.Struct.Mol.Biol., 30, 2023
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7TYM
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![BU of 7tym by Molmil](/molmil-images/mine/7tym) | Cryo-EM Structure of insulin receptor-related receptor (IRR) in active-state captured at pH 9. The 3D refinement was applied with C2 symmetry | Descriptor: | Insulin receptor-related protein | Authors: | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | Deposit date: | 2022-02-13 | Release date: | 2023-02-15 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor. Nat.Struct.Mol.Biol., 30, 2023
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5UEX
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![BU of 5uex by Molmil](/molmil-images/mine/5uex) | BRD4_BD2_A-1497627 | Descriptor: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEU
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![BU of 5ueu by Molmil](/molmil-images/mine/5ueu) | BRD4_BD2_A-1107604 | Descriptor: | Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UF0
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![BU of 5uf0 by Molmil](/molmil-images/mine/5uf0) | BRD4_BD2-A-35165 | Descriptor: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-06-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEZ
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![BU of 5uez by Molmil](/molmil-images/mine/5uez) | BRD4_BD2_A-1342843 | Descriptor: | 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEW
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![BU of 5uew by Molmil](/molmil-images/mine/5uew) | BRD2 Bromodomain2 with A-1360579 | Descriptor: | Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEY
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![BU of 5uey by Molmil](/molmil-images/mine/5uey) | BRD4_BD2_A-1412838 | Descriptor: | 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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