5IQ4
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![BU of 5iq4 by Molmil](/molmil-images/mine/5iq4) | Crystal structure of RnTmm mutant Y207S soaking | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, Y.Z, Li, C.Y. | Deposit date: | 2016-03-10 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide Mol. Microbiol., 103, 2017
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2JTC
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![BU of 2jtc by Molmil](/molmil-images/mine/2jtc) | 3D structure and backbone dynamics of SPE B | Descriptor: | Streptopain | Authors: | Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P. | Deposit date: | 2007-07-26 | Release date: | 2008-08-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity. J.Biol.Chem., 284, 2009
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5XLP
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![BU of 5xlp by Molmil](/molmil-images/mine/5xlp) | |
5XLO
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![BU of 5xlo by Molmil](/molmil-images/mine/5xlo) | |
7F3B
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![BU of 7f3b by Molmil](/molmil-images/mine/7f3b) | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | Deposit date: | 2021-06-16 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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3VV3
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![BU of 3vv3 by Molmil](/molmil-images/mine/3vv3) | Crystal structure of deseasin MCP-01 from Pseudoalteromonas sp. SM9913 | Descriptor: | CALCIUM ION, Deseasin MCP-01 | Authors: | Zhao, G.Y, Gao, X, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2012-07-14 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and mechanistic insights into collagen degradation by a bacterial collagenolytic serine protease in the subtilisin family. Mol. Microbiol., 90, 2013
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6U0D
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![BU of 6u0d by Molmil](/molmil-images/mine/6u0d) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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6UWY
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![BU of 6uwy by Molmil](/molmil-images/mine/6uwy) | DYRK1A bound to a harmine derivative | Descriptor: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | Authors: | Khamrui, S, Lazarus, M.B. | Deposit date: | 2019-11-05 | Release date: | 2020-02-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor. J.Med.Chem., 63, 2020
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8IHM
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![BU of 8ihm by Molmil](/molmil-images/mine/8ihm) | Eaf3 CHD domain bound to the nucleosome | Descriptor: | Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
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8IHN
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![BU of 8ihn by Molmil](/molmil-images/mine/8ihn) | Cryo-EM structure of the Rpd3S core complex | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
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8IHT
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![BU of 8iht by Molmil](/molmil-images/mine/8iht) | Rpd3S bound to the nucleosome | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, DNA (164-MER), ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
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6UWU
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![BU of 6uwu by Molmil](/molmil-images/mine/6uwu) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-11-05 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation. J.Med.Chem., 63, 2020
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7BZT
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![BU of 7bzt by Molmil](/molmil-images/mine/7bzt) | Cryo-EM structure of mature Coxsackievirus A10 in complex with KRM1 at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-22 | Last modified: | 2020-08-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BZN
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![BU of 7bzn by Molmil](/molmil-images/mine/7bzn) | Cryo-EM structure of mature Coxsackievirus A10 at pH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BZO
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![BU of 7bzo by Molmil](/molmil-images/mine/7bzo) | Cryo-EM structure of mature Coxsackievirus A10 at pH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BZU
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![BU of 7bzu by Molmil](/molmil-images/mine/7bzu) | Cryo-EM structure of mature Coxsackievirus A10 in complex with KRM1 at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-22 | Last modified: | 2020-08-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1. Proc.Natl.Acad.Sci.USA, 117, 2020
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7C4Z
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![BU of 7c4z by Molmil](/molmil-images/mine/7c4z) | Cryo-EM structure of empty Coxsackievirus A10 at pH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J. | Deposit date: | 2020-05-18 | Release date: | 2020-07-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1. Proc.Natl.Acad.Sci.USA, 117, 2020
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7XF5
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![BU of 7xf5 by Molmil](/molmil-images/mine/7xf5) | Full length human CLC-2 channel in apo state | Descriptor: | Chloride channel protein 2 | Authors: | Wang, L. | Deposit date: | 2022-04-01 | Release date: | 2023-05-03 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42 Nat Commun, 14, 2023
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7XJA
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![BU of 7xja by Molmil](/molmil-images/mine/7xja) | TMD masked refine map of human ClC-2 | Descriptor: | Chloride channel protein 2 | Authors: | Wang, L. | Deposit date: | 2022-04-15 | Release date: | 2023-05-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42 Nat Commun, 14, 2023
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7XXJ
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![BU of 7xxj by Molmil](/molmil-images/mine/7xxj) | Echo 18 incubated with FcRn at pH5.5 | Descriptor: | PALMITIC ACID, VP1, VP2, ... | Authors: | Liu, C.C, Qu, X. | Deposit date: | 2022-05-30 | Release date: | 2022-06-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18. Mbio, 13, 2022
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7XXA
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![BU of 7xxa by Molmil](/molmil-images/mine/7xxa) | Complex of Echo 18 and FcRn at pH7.4 | Descriptor: | IgG receptor FcRn large subunit p51, VP1, VP2, ... | Authors: | Liu, C.C, Qu, X. | Deposit date: | 2022-05-29 | Release date: | 2022-06-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18. Mbio, 13, 2022
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7XXG
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![BU of 7xxg by Molmil](/molmil-images/mine/7xxg) | Echo 18 at pH5.5 | Descriptor: | PALMITIC ACID, VP1, VP2, ... | Authors: | Liu, C.C, Qu, X. | Deposit date: | 2022-05-30 | Release date: | 2022-06-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18. Mbio, 13, 2022
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7VY5
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![BU of 7vy5 by Molmil](/molmil-images/mine/7vy5) | Coxsackievirus B3 (VP3-234Q) incubation with CD55 at pH7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Wang, Q.L, Liu, C.C. | Deposit date: | 2021-11-13 | Release date: | 2022-01-19 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Molecular basis of differential receptor usage for naturally occurring CD55-binding and -nonbinding coxsackievirus B3 strains. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VXZ
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7VYL
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![BU of 7vyl by Molmil](/molmil-images/mine/7vyl) | |