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8ZHI
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BU of 8zhi by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs
分子名称: 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, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-11
公開日2024-08-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (6.05 Å)
主引用文献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
8ZHJ
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BU of 8zhj by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C1 symmetry)
分子名称: 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, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-11
公開日2024-08-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (8.45 Å)
主引用文献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
7W75
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BU of 7w75 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form I
分子名称: E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
7W76
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BU of 7w76 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II
分子名称: E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ...
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
9B16
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BU of 9b16 by Molmil
Cryo-EM structure of human uMtCK1 in complex with ADP and covalent inhibitor CKi
分子名称: (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, ...
著者Demir, M, Koepping, L, Zhao, J, Sergienko, E.
登録日2024-03-13
公開日2025-02-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B05
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BU of 9b05 by Molmil
Cryo-EM structure of human uMtCK1
分子名称: Creatine kinase U-type, mitochondrial
著者Demir, M, Koepping, L, Zhao, J, Sergienko, E.
登録日2024-03-11
公開日2025-02-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B0T
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BU of 9b0t by Molmil
Cryo-EM structure of E227Q variant of uMtCK1 in complex with transition state analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
著者Demir, M, Koepping, L, Zhao, J, Sergienko, E.
登録日2024-03-12
公開日2025-02-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B14
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BU of 9b14 by Molmil
Cryo-EM structure of human uMtCK1 in complex with transition state analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
著者Demir, M, Koepping, L, Zhao, J, Sergienko, E.
登録日2024-03-13
公開日2025-02-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B0U
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BU of 9b0u by Molmil
Cryo-EM structure of E227Q variant of uMtCK1 incubated with ADP and phosphocreatine at pH 8.0
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
著者Demir, M, Koepping, L, Zhao, J, Sergienko, E.
登録日2024-03-12
公開日2025-02-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
9B04
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BU of 9b04 by Molmil
Cryo-EM structure of human uMtCK1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase U-type, mitochondrial, ...
著者Demir, M, Koepping, L, Zhao, J, Sergienko, E.
登録日2024-03-11
公開日2025-02-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural basis for substrate binding, catalysis, and inhibition of cancer target mitochondrial creatine kinase by a covalent inhibitor.
Structure, 33, 2025
7BER
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BU of 7ber by Molmil
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)
分子名称: Myeloid differentiation primary response protein MyD88
著者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.
登録日2020-12-24
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
7BEQ
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BU of 7beq by Molmil
MicroED structure of the MyD88 TIR domain higher-order assembly
分子名称: Myeloid differentiation primary response protein MyD88
著者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.
登録日2020-12-24
公開日2021-03-10
最終更新日2024-01-31
実験手法ELECTRON CRYSTALLOGRAPHY (3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
7DC1
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BU of 7dc1 by Molmil
Crystal structure of human copper homeostatic proteins atox1
分子名称: Copper transport protein ATOX1, SILVER ION
著者Wei, W, Zhao, J, Wang, F.
登録日2020-10-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of human copper homeostatic proteins atox1
To Be Published
7EXT
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BU of 7ext by Molmil
Cryo-EM structure of cyanobacterial phycobilisome from Synechococcus sp. PCC 7002
分子名称: Allophycocyanin alpha subunit, Allophycocyanin beta subunit, Allophycocyanin subunit alpha-B, ...
著者Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N.
登録日2021-05-28
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
7EYD
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BU of 7eyd by Molmil
Cryo-EM structure of cyanobacterial phycobilisome from Anabaena sp. PCC 7120
分子名称: Allophycocyanin subunit alpha 1, Allophycocyanin subunit alpha-B, Allophycocyanin subunit beta, ...
著者Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N.
登録日2021-05-30
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
4U5T
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BU of 4u5t by Molmil
Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid
分子名称: (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper
著者Stagno, J.R, Ji, X.
登録日2014-07-25
公開日2014-08-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
4FH7
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BU of 4fh7 by Molmil
Structure of DHP A in complex with 2,4,6-tribromophenol in 20% methanol
分子名称: 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, METHANOL, ...
著者de Serrano, V.S, Franzen, S.
登録日2012-06-05
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
4FH6
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BU of 4fh6 by Molmil
Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO
分子名称: 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
著者de Serrano, V.S, Franzen, S.
登録日2012-06-05
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
6TYY
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BU of 6tyy by Molmil
Hedgehog autoprocessing mutant D46H
分子名称: Protein hedgehog
著者Li, H, Li, Z, Wang, C, Callahan, B.P.
登録日2019-08-09
公開日2019-11-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
6GMI
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BU of 6gmi by Molmil
Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm.
分子名称: 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)
著者Rebelein, J.G.
登録日2018-05-26
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
分子名称: 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
著者Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
登録日2011-04-01
公開日2011-09-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5UFK
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BU of 5ufk by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-04
公開日2017-05-10
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
8E4A
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BU of 8e4a by Molmil
Pseudomonas LpxC in complex with LPC-233
分子名称: 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
著者Najeeb, J, Zhou, P.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
6EBU
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BU of 6ebu by Molmil
Crystal structure of Aquifex aeolicus LpxE
分子名称: LpxE, SULFATE ION, octyl beta-D-glucopyranoside
著者Wu, Q, Wang, S, Zhou, P.
登録日2018-08-07
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.372 Å)
主引用文献The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019

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件を2025-07-09に公開中

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