6K9P
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![BU of 6k9p by Molmil](/molmil-images/mine/6k9p) | Structure of Deubiquitinase | Descriptor: | Ubiquitin, Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-17 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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3R0W
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![BU of 3r0w by Molmil](/molmil-images/mine/3r0w) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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7YFG
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![BU of 7yfg by Molmil](/molmil-images/mine/7yfg) | Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (major class in asymmetry) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | Authors: | Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S. | Deposit date: | 2022-07-08 | Release date: | 2023-03-29 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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7YFH
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![BU of 7yfh by Molmil](/molmil-images/mine/7yfh) | Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine, glutamate and (R)-PYD-106 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | Authors: | Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S. | Deposit date: | 2022-07-08 | Release date: | 2023-03-29 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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7YFI
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![BU of 7yfi by Molmil](/molmil-images/mine/7yfi) | Structure of the Rat tri-heteromeric GluN1-GluN2A-GluN2C NMDA receptor in complex with glycine and glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | Authors: | Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S. | Deposit date: | 2022-07-08 | Release date: | 2023-03-29 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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6K9N
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![BU of 6k9n by Molmil](/molmil-images/mine/6k9n) | Rice_OTUB_like_catalytic domain | Descriptor: | Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-17 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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7JUP
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![BU of 7jup by Molmil](/molmil-images/mine/7jup) | Structure of human TRPA1 in complex with antagonist compound 21 | Descriptor: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L. | Deposit date: | 2020-08-20 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J.Med.Chem., 64, 2021
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7XYD
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![BU of 7xyd by Molmil](/molmil-images/mine/7xyd) | Crystal structure of TMPRSS2 in complex with Nafamostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-01 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0F
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![BU of 7y0f by Molmil](/molmil-images/mine/7y0f) | Crystal structure of TMPRSS2 in complex with UK-371804 | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8XAJ
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![BU of 8xaj by Molmil](/molmil-images/mine/8xaj) | Cryo-EM structure of OSCA1.2-liposome-inside-in open state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Calcium permeable stress-gated cation channel 1 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2023-12-04 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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7Y0E
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![BU of 7y0e by Molmil](/molmil-images/mine/7y0e) | Crystal structure of TMPRSS2 in complex with Camostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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6KBE
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![BU of 6kbe by Molmil](/molmil-images/mine/6kbe) | Structure of Deubiquitinase | Descriptor: | Polyubiquitin-C, Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-24 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.339 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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7KEK
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![BU of 7kek by Molmil](/molmil-images/mine/7kek) | Structure of the free outer-arm dynein in pre-parallel state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein alpha heavy chain, ... | Authors: | Rao, Q, Zhang, K. | Deposit date: | 2020-10-11 | Release date: | 2021-09-29 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism. Nat.Struct.Mol.Biol., 28, 2021
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7K58
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![BU of 7k58 by Molmil](/molmil-images/mine/7k58) | |
7K5B
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![BU of 7k5b by Molmil](/molmil-images/mine/7k5b) | |
3R0Y
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![BU of 3r0y by Molmil](/molmil-images/mine/3r0y) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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7YS6
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![BU of 7ys6 by Molmil](/molmil-images/mine/7ys6) | Cryo-EM structure of the Serotonin 6 (5-HT6) receptor-DNGs-scFv16 complex | Descriptor: | 5-hydroxytryptamine receptor 6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, Q.Y, Wang, Y.F, He, L, Wang, S, Cong, Y. | Deposit date: | 2022-08-11 | Release date: | 2023-03-29 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into constitutive activity of 5-HT 6 receptor. Proc.Natl.Acad.Sci.USA, 120, 2023
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3PMI
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![BU of 3pmi by Molmil](/molmil-images/mine/3pmi) | PWWP Domain of Human Mutated Melanoma-Associated Antigen 1 | Descriptor: | DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ... | Authors: | Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-17 | Release date: | 2010-12-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural and histone binding ability characterizations of human PWWP domains. Plos One, 6, 2011
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3PFS
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![BU of 3pfs by Molmil](/molmil-images/mine/3pfs) | PWWP Domain of Human Bromodomain and PHD finger-containing protein 3 | Descriptor: | Bromodomain and PHD finger-containing protein 3, SULFATE ION, ZINC ION | Authors: | Lam, R, Zeng, H, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-29 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and histone binding ability characterizations of human PWWP domains. Plos One, 6, 2011
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6IWI
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![BU of 6iwi by Molmil](/molmil-images/mine/6iwi) | Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension. J.Med.Chem., 62, 2019
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6MPH
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![BU of 6mph by Molmil](/molmil-images/mine/6mph) | Cryo-EM structure at 3.8 A resolution of HIV-1 fusion peptide-directed antibody, DF1W-a.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DF1W-a.01 Light chain, ... | Authors: | Acharya, P, Xu, K, Kwong, P.D. | Deposit date: | 2018-10-06 | Release date: | 2019-07-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization. Cell, 178, 2019
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6MX8
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![BU of 6mx8 by Molmil](/molmil-images/mine/6mx8) | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
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2JYJ
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![BU of 2jyj by Molmil](/molmil-images/mine/2jyj) | Re-refining the tetraloop-receptor RNA-RNA complex using NMR-derived restraints and Xplor-nih (2.18) | Descriptor: | RNA (43-MER) | Authors: | Zuo, X, Wang, J, Foster, T.R, Schwieters, C.D, Tiede, D.M, Butcher, S.E, Wang, Y. | Deposit date: | 2007-12-13 | Release date: | 2008-10-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | RNA helical packing in solution: NMR structure of a 30 kDa GAAA tetraloop-receptor complex. J.Mol.Biol., 351, 2005
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7WK5
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![BU of 7wk5 by Molmil](/molmil-images/mine/7wk5) | Cryo-EM structure of Omicron S-ACE2, C2 state | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Han, W.Y, Wang, Y.F. | Deposit date: | 2022-01-08 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Molecular basis of SARS-CoV-2 Omicron variant receptor engagement and antibody evasion and neutralization Biorxiv, 2022
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7WK4
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![BU of 7wk4 by Molmil](/molmil-images/mine/7wk4) | |