8ZHI
 
 | | SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (6.05 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHJ
 | | SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C1 symmetry) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (8.45 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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7W75
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7W76
 | | Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II | | Descriptor: | E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ... | | Authors: | Shi, M, Zhao, J, Xiang, S. | | Deposit date: | 2021-12-03 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
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9B16
 | | Cryo-EM structure of human uMtCK1 in complex with ADP and covalent inhibitor CKi | | Descriptor: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, ... | | Authors: | Demir, M, Koepping, L, Zhao, J, Sergienko, E. | | Deposit date: | 2024-03-13 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
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9B05
 | | Cryo-EM structure of human uMtCK1 | | Descriptor: | Creatine kinase U-type, mitochondrial | | Authors: | Demir, M, Koepping, L, Zhao, J, Sergienko, E. | | Deposit date: | 2024-03-11 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
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9B0T
 | | Cryo-EM structure of E227Q variant of uMtCK1 in complex with transition state analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ... | | Authors: | Demir, M, Koepping, L, Zhao, J, Sergienko, E. | | Deposit date: | 2024-03-12 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
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9B14
 | | Cryo-EM structure of human uMtCK1 in complex with transition state analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ... | | Authors: | Demir, M, Koepping, L, Zhao, J, Sergienko, E. | | Deposit date: | 2024-03-13 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
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9B0U
 | | Cryo-EM structure of E227Q variant of uMtCK1 incubated with ADP and phosphocreatine at pH 8.0 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ... | | Authors: | Demir, M, Koepping, L, Zhao, J, Sergienko, E. | | Deposit date: | 2024-03-12 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
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9B04
 | | Cryo-EM structure of human uMtCK1 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ... | | Authors: | Demir, M, Koepping, L, Zhao, J, Sergienko, E. | | Deposit date: | 2024-03-11 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
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7BER
 | | SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly) | | Descriptor: | Myeloid differentiation primary response protein MyD88 | | Authors: | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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7BEQ
 | | MicroED structure of the MyD88 TIR domain higher-order assembly | | Descriptor: | Myeloid differentiation primary response protein MyD88 | | Authors: | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | | Cite: | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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7DC1
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7EXT
 | | Cryo-EM structure of cyanobacterial phycobilisome from Synechococcus sp. PCC 7002 | | Descriptor: | Allophycocyanin alpha subunit, Allophycocyanin beta subunit, Allophycocyanin subunit alpha-B, ... | | Authors: | Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N. | | Deposit date: | 2021-05-28 | | Release date: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
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7EYD
 | | Cryo-EM structure of cyanobacterial phycobilisome from Anabaena sp. PCC 7120 | | Descriptor: | Allophycocyanin subunit alpha 1, Allophycocyanin subunit alpha-B, Allophycocyanin subunit beta, ... | | Authors: | Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N. | | Deposit date: | 2021-05-30 | | Release date: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
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4U5T
 | | Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid | | Descriptor: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper | | Authors: | Stagno, J.R, Ji, X. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
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4FH7
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 20% methanol | | Descriptor: | 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, METHANOL, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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4FH6
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO | | Descriptor: | 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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6TYY
 | | Hedgehog autoprocessing mutant D46H | | Descriptor: | Protein hedgehog | | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
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6GMI
 | | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm. | | Descriptor: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | | Authors: | Rebelein, J.G. | | Deposit date: | 2018-05-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
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3RDH
 | | X-ray induced covalent inhibition of 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | | Deposit date: | 2011-04-01 | | Release date: | 2011-09-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5UF5
 | | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer) | | Descriptor: | GLYCEROL, effector protein SidK | | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2017-01-03 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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5UFK
 | | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila | | Descriptor: | GLYCEROL, effector protein SidK | | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2017-01-04 | | Release date: | 2017-05-10 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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8E4A
 | | Pseudomonas LpxC in complex with LPC-233 | | Descriptor: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Najeeb, J, Zhou, P. | | Deposit date: | 2022-08-17 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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6EBU
 | | Crystal structure of Aquifex aeolicus LpxE | | Descriptor: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Wu, Q, Wang, S, Zhou, P. | | Deposit date: | 2018-08-07 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
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