6LAT
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![BU of 6lat by Molmil](/molmil-images/mine/6lat) | The cryo-EM structure of HEV VLP | Descriptor: | Protein ORF2 | Authors: | Zheng, Q, He, M, Li, S. | Deposit date: | 2019-11-13 | Release date: | 2019-12-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Viral neutralization by antibody-imposed physical disruption. Proc.Natl.Acad.Sci.USA, 2019
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6DCC
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![BU of 6dcc by Molmil](/molmil-images/mine/6dcc) | Structure of methylphosphate capping enzyme methyltransferase domain in complex with 5' end of 7SK RNA | Descriptor: | 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Yang, Y, Eichhorn, C, Cascio, D, Feigon, J. | Deposit date: | 2018-05-04 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of 7SK RNA 5'-gamma-phosphate methylation and retention by MePCE. Nat. Chem. Biol., 15, 2019
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3KMY
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![BU of 3kmy by Molmil](/molmil-images/mine/3kmy) | Structure of BACE bound to SCH12472 | Descriptor: | 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1 | Authors: | Strickland, C, Wang, Y. | Deposit date: | 2009-11-11 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010
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5TKK
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![BU of 5tkk by Molmil](/molmil-images/mine/5tkk) | |
5XLZ
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![BU of 5xlz by Molmil](/molmil-images/mine/5xlz) | |
6KVH
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![BU of 6kvh by Molmil](/molmil-images/mine/6kvh) | The mutant crystal structure of endo-polygalacturonase (T284A) from Talaromyces leycettanus JCM 12802 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, endo-polygalacturonase | Authors: | Tu, T, Wang, Z, Luo, H, Yao, B. | Deposit date: | 2019-09-04 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase. J.Agric.Food Chem., 69, 2021
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3V43
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![BU of 3v43 by Molmil](/molmil-images/mine/3v43) | Crystal structure of MOZ | Descriptor: | ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ... | Authors: | Qiu, Y, Li, F. | Deposit date: | 2011-12-14 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription Genes Dev., 26, 2012
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8RNU
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4L91
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![BU of 4l91 by Molmil](/molmil-images/mine/4l91) | Crystal structure of Human Hsp90 with X29 | Descriptor: | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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8SMU
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![BU of 8smu by Molmil](/molmil-images/mine/8smu) | Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | Descriptor: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | Authors: | Mahoney, B.J, Cascio, D, Clubb, R.T. | Deposit date: | 2023-04-26 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J.Inorg.Biochem., 249, 2023
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8TDQ
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![BU of 8tdq by Molmil](/molmil-images/mine/8tdq) | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
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4L94
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![BU of 4l94 by Molmil](/molmil-images/mine/4l94) | Crystal structure of Human Hsp90 with S46 | Descriptor: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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8JV7
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![BU of 8jv7 by Molmil](/molmil-images/mine/8jv7) | Cryo-EM structure of the panda P2X7 receptor in complex with PPADS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid, P2X purinoceptor | Authors: | Sheng, D, Hattori, M. | Deposit date: | 2023-06-27 | Release date: | 2023-11-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists. Elife, 12, 2024
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8JV8
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![BU of 8jv8 by Molmil](/molmil-images/mine/8jv8) | Cryo-EM structure of the panda P2X7 receptor in complex with PPNDS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, P2X purinoceptor | Authors: | Sheng, D, Hattori, M. | Deposit date: | 2023-06-27 | Release date: | 2023-11-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists. Elife, 12, 2024
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8TDP
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![BU of 8tdp by Molmil](/molmil-images/mine/8tdp) | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
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7F69
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![BU of 7f69 by Molmil](/molmil-images/mine/7f69) | Crystal structure of WIPI2b in complex with ATG16L1 | Descriptor: | Isoform 2 of Autophagy-related protein 16-1, Isoform 2 of WD repeat domain phosphoinositide-interacting protein 2 | Authors: | Gong, X.Y, Pan, L.F. | Deposit date: | 2021-06-24 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | ATG16L1 adopts a dual-binding site mode to interact with WIPI2b in autophagy. Sci Adv, 9, 2023
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8SWE
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![BU of 8swe by Molmil](/molmil-images/mine/8swe) | FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3 | Descriptor: | Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ... | Authors: | Valverde, R, Foster, L. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
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2KLK
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![BU of 2klk by Molmil](/molmil-images/mine/2klk) | Solution structure of GB1 A34F mutant with RDC and SAXS | Descriptor: | IMMUNOGLOBULIN G-BINDING PROTEIN G | Authors: | Wang, J, Zuo, X, Yu, P, Byeon, I.L, Jung, J, Schwieters, C.D, Gronenborn, A.M, Wang, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-10-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Determination of multicomponent protein structures in solution using global orientation and shape restraints. J.Am.Chem.Soc., 131, 2009
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5XLT
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![BU of 5xlt by Molmil](/molmil-images/mine/5xlt) | The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | Descriptor: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-05-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.813 Å) | Cite: | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design Biochem. Biophys. Res. Commun., 493, 2017
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8QEN
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8QEO
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6JCJ
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![BU of 6jcj by Molmil](/molmil-images/mine/6jcj) | Structure of crolibulin in complex with tubulin | Descriptor: | (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Z, Yang, J. | Deposit date: | 2019-01-29 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design. Biochem. Biophys. Res. Commun., 511, 2019
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6KRE
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![BU of 6kre by Molmil](/molmil-images/mine/6kre) | TRiC at 0.05 mM ADP-AlFx, Conformation 2, 0.05-C2 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-21 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.45 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KS8
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![BU of 6ks8 by Molmil](/molmil-images/mine/6ks8) | TRiC at 0.1 mM ADP-AlFx, Conformation 4, 0.1-C4 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-23 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.69 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KRD
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![BU of 6krd by Molmil](/molmil-images/mine/6krd) | TRiC at 0.05 mM ADP-AlFx, Conformation 4, 0.05-C4 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-21 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.38 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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