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7WCZ
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BU of 7wcz by Molmil
SARS-CoV-2 Beta spike in complex with one S5D2 Fab
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCR
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BU of 7wcr by Molmil
RBD-1 of SARS-CoV-2 Beta spike in complex with S5D2 Fab
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WEV
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BU of 7wev by Molmil
SARS-COV-2 BETA VARIANT SPIKE PROTEIN IN TRANSITION STATE
Descriptor: Spike glycoprotein
Authors:Xu, C, Cong, Y.
Deposit date:2021-12-24
Release date:2022-01-26
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7WR4
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BU of 7wr4 by Molmil
Crystal structure of OspC3-calmodulin-caspase-4 complex
Descriptor: Calmodulin-1, Caspase-4, OspC3
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR2
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BU of 7wr2 by Molmil
Cryatal structure of OspC3 C-terminal ankyrin-repeat domain
Descriptor: OspC3
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR0
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BU of 7wr0 by Molmil
P32 of caspase-4 C258A mutant
Descriptor: Caspase-4
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR6
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BU of 7wr6 by Molmil
Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521
Descriptor: ADP-ribose glycohydrolase AF_1521, Caspase-4, [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR1
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BU of 7wr1 by Molmil
P32 of caspase-4 C258A mutant in complex with OspC3 C-terminal ankyrin-repeat domain
Descriptor: Caspase-4, OspC3
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR3
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BU of 7wr3 by Molmil
Crystal structure of MBP-fused OspC3 in complex with calmodulin
Descriptor: Calmodulin-1, MBP-fused OspC3, NICOTINAMIDE, ...
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR5
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BU of 7wr5 by Molmil
Crystal structure of OspC3-calmodulin-caspase-4 complex binding with 2'-aF-NAD+
Descriptor: Calmodulin-1, Caspase-4, OspC3, ...
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WZ5
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BU of 7wz5 by Molmil
Larimichthys crocea IFNi
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C
Authors:Chen, J.J.
Deposit date:2022-02-17
Release date:2023-02-08
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and Functional Characterization of a Fish Type I Subgroup d IFN Reveals Its Binding to Receptors.
J Immunol., 212, 2024
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
Descriptor: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
Descriptor: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7WZS
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BU of 7wzs by Molmil
Crystal structure of Chromobacterium violaceum effector CopC in complex with host calmodulin and caspase-7
Descriptor: Calmodulin-1, Caspase-7, CopC
Authors:Ding, J.
Deposit date:2022-02-19
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Calmodulin Binding Activates Chromobacterium CopC Effector to ADP-Riboxanate Host Apoptotic Caspases.
Mbio, 13, 2022
7FEF
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BU of 7fef by Molmil
Crystal structure of AtMBD6 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6
Authors:Wu, Z.B, Liu, K, Min, J.R.
Deposit date:2021-07-19
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
7FEO
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BU of 7feo by Molmil
Crystal structure of AtMBD5 MBD domain
Descriptor: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
Authors:Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2021-07-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
8Y9N
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BU of 8y9n by Molmil
Cas12h1-crRNA-dsDNA ternary complex
Descriptor: Cas12h1, DNA (29-mer), MAGNESIUM ION, ...
Authors:Zheng, W.W, Liu, M.X.
Deposit date:2024-02-07
Release date:2025-02-12
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular insights and rational engineering of a compact CRISPR-Cas effector Cas12h1 with a broad-spectrum PAM.
Signal Transduct Target Ther, 10, 2025
8Y9M
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BU of 8y9m by Molmil
Cas12h1(D465A)-crRNA-dsDNA ternary complex
Descriptor: Cas12h1 (D465A) mutant, DNA (29-mer), crRNA
Authors:Zheng, W.W, Liu, M.X.
Deposit date:2024-02-07
Release date:2025-02-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Molecular insights and rational engineering of a compact CRISPR-Cas effector Cas12h1 with a broad-spectrum PAM.
Signal Transduct Target Ther, 10, 2025
8Y9L
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BU of 8y9l by Molmil
Cas12h1-crRNA binary complex
Descriptor: Cas12h1, MAGNESIUM ION, crRNA
Authors:Zheng, W.W, Liu, M.X.
Deposit date:2024-02-07
Release date:2025-02-12
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular insights and rational engineering of a compact CRISPR-Cas effector Cas12h1 with a broad-spectrum PAM.
Signal Transduct Target Ther, 10, 2025
8YHX
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BU of 8yhx by Molmil
Cryo-EM structure of the trimeric HerA
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, DUF87 domain-containing protein, SIR2 family protein
Authors:Zhen, X, Zhou, B, Xiong, X.
Deposit date:2024-02-28
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Mechanistic basis for the allosteric activation of NADase activity in the Sir2-HerA antiphage defense system.
Nat Commun, 15, 2024
8YHO
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BU of 8yho by Molmil
Cryo-EM structure of the trimeric HerA
Descriptor: DUF87 domain-containing protein
Authors:Zhen, X, Xiong, X.
Deposit date:2024-02-28
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanistic basis for the allosteric activation of NADase activity in the Sir2-HerA antiphage defense system.
Nat Commun, 15, 2024
9AV4
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BU of 9av4 by Molmil
Design and application of synthetic 17B-HSD13 substrates to drug discovery, and to reveal preserved catalytic activity of protective human variants
Descriptor: 4-(3,4-dichlorobenzene-1-sulfonamido)-2-fluorobenzoic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S.
Deposit date:2024-03-01
Release date:2024-11-27
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Design and application of synthetic 17B-HSD13 substrates reveals preserved catalytic activity of protective human variants.
Nat Commun, 16, 2025
9AV5
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BU of 9av5 by Molmil
Design and application of synthetic 17B-HSD13 substrates to drug discovery, and to reveal preserved catalytic activity of protective human variants
Descriptor: 8-(3,4-dichlorobenzene-1-sulfonamido)quinoline-5-carboxylic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S, Garnsey, M.
Deposit date:2024-03-01
Release date:2024-11-27
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.363 Å)
Cite:Design and application of synthetic 17B-HSD13 substrates reveals preserved catalytic activity of protective human variants.
Nat Commun, 16, 2025
9AV8
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BU of 9av8 by Molmil
Design and application of synthetic 17B-HSD13 substrates to drug discovery, and to reveal preserved catalytic activity of protective human variants
Descriptor: 7-[3-chloro-4-(cyclobutylmethoxy)benzene-1-sulfonamido]-2-methyl-2H-indazole-4-carboxylic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S, Garnsey, M.
Deposit date:2024-03-01
Release date:2024-11-27
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Design and application of synthetic 17B-HSD13 substrates reveals preserved catalytic activity of protective human variants.
Nat Commun, 16, 2025
8JPX
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BU of 8jpx by Molmil
Cryo-EM structure of PfAgo-guide DNA-target DNA complex
Descriptor: Excess DNA, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-06-13
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024

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數據於2025-07-09公開中

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