8WTK
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![BU of 8wtk by Molmil](/molmil-images/mine/8wtk) | Crystal structure of Cas3-DExD+MG | Descriptor: | CRISPR-associated helicase Cas3, MAGNESIUM ION | Authors: | Mo, X. | Deposit date: | 2023-10-18 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structural insight into dynamic characteristic of the polymerized forms of kinetoplastid membrane protein-11 To be published
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8XDY
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![BU of 8xdy by Molmil](/molmil-images/mine/8xdy) | O-methyltransferase from Lycoris longituba M52A variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Saw, Y.Y.H, Nakashima, Y, Morita, H. | Deposit date: | 2023-12-11 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases Acs Catalysis, 2024
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8VJK
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![BU of 8vjk by Molmil](/molmil-images/mine/8vjk) | Structure of mouse RyR1 (high-Ca2+/CFF/ATP dataset) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ... | Authors: | Weninger, G, Marks, A.R. | Deposit date: | 2024-01-07 | Release date: | 2024-01-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural insights into the regulation of RyR1 by S100A1. Proc.Natl.Acad.Sci.USA, 121, 2024
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9B9N
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![BU of 9b9n by Molmil](/molmil-images/mine/9b9n) | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | Deposit date: | 2024-04-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme Acs Cent.Sci., 2024
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8Y0G
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![BU of 8y0g by Molmil](/molmil-images/mine/8y0g) | Human beta-catenin crystal structure | Descriptor: | Catenin beta-1 | Authors: | Tim, F. | Deposit date: | 2024-01-22 | Release date: | 2024-03-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal protein of human Beta-catenin To Be Published
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8XGK
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![BU of 8xgk by Molmil](/molmil-images/mine/8xgk) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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8XCZ
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![BU of 8xcz by Molmil](/molmil-images/mine/8xcz) | |
9B5F
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![BU of 9b5f by Molmil](/molmil-images/mine/9b5f) | |
8VTO
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![BU of 8vto by Molmil](/molmil-images/mine/8vto) | |
8YQJ
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![BU of 8yqj by Molmil](/molmil-images/mine/8yqj) | Crystal structure of HylD1 | Descriptor: | Lipase | Authors: | Wang, N, Li, C.Y. | Deposit date: | 2024-03-19 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular insights into the catalytic mechanism of a phthalate ester hydrolase. J Hazard Mater, 476, 2024
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8VDK
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![BU of 8vdk by Molmil](/molmil-images/mine/8vdk) | Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Kim, Y, Tan, A, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-12-15 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus To Be Published
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8YP3
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![BU of 8yp3 by Molmil](/molmil-images/mine/8yp3) | Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc | Descriptor: | MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ... | Authors: | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | Deposit date: | 2024-03-15 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway. J.Agric.Food Chem., 2024
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8X9H
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![BU of 8x9h by Molmil](/molmil-images/mine/8x9h) | Crystal structure of CO dehydrogenase mutant (F41C) | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8VDW
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9AT0
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![BU of 9at0 by Molmil](/molmil-images/mine/9at0) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8Y7O
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![BU of 8y7o by Molmil](/molmil-images/mine/8y7o) | FluPol-NS2 complex (hexamer) | Descriptor: | Nuclear export protein, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Peng, Q, Sun, J.Q. | Deposit date: | 2024-02-04 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | NS2 stabilizes polymerase hexamer to regulate transcription-replication switch of influenza A virus To Be Published
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8WQO
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![BU of 8wqo by Molmil](/molmil-images/mine/8wqo) | Crystal structure of BRD4-BD1 bound with DI106 | Descriptor: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Xiong, B. | Deposit date: | 2023-10-12 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Rational design and evaluation of BET-Aurora A dual-inhibitors for treatment of cancers To Be Published
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8VIG
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![BU of 8vig by Molmil](/molmil-images/mine/8vig) | EgtB-IV from Geminocystis sp. isolate SKYG4, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N,N,N-trimethyl-histidine, ... | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2024-01-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA Structure, 2024
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9BAP
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![BU of 9bap by Molmil](/molmil-images/mine/9bap) | CryoEM structure of Apo-DIM2 | Descriptor: | DNA (cytosine-5-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Song, J, Shao, Z. | Deposit date: | 2024-04-04 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | CryoEM structure of Apo-DIM2 To Be Published
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9B5I
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9AT4
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![BU of 9at4 by Molmil](/molmil-images/mine/9at4) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptane 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8W6T
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![BU of 8w6t by Molmil](/molmil-images/mine/8w6t) | NaS1 in IN/OUT state | Descriptor: | Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8VTL
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![BU of 8vtl by Molmil](/molmil-images/mine/8vtl) | |
9BQ2
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![BU of 9bq2 by Molmil](/molmil-images/mine/9bq2) | |
8XFL
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![BU of 8xfl by Molmil](/molmil-images/mine/8xfl) | |