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4LX4
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BU of 4lx4 by Molmil
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein
Authors:Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
Deposit date:2013-07-29
Release date:2014-07-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
7YJ3
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BU of 7yj3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-18
Release date:2023-07-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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BU of 7yvu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-19
Release date:2023-07-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YHW
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BU of 7yhw by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-14
Release date:2023-07-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7V1N
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BU of 7v1n by Molmil
Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI
Descriptor: Isoform Beta of Tissue factor pathway inhibitor, Toxin B
Authors:Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L.
Deposit date:2021-08-05
Release date:2022-02-23
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile.
Cell, 185, 2022
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
8WLO
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BU of 8wlo by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with hippopotamus ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Han, P, Yang, R.R, Li, S.H.
Deposit date:2023-09-30
Release date:2024-03-27
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Molecular basis of hippopotamus ACE2 binding to SARS-CoV-2.
J.Virol., 98, 2024
8WLR
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BU of 8wlr by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with hippopotamus ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Han, P, Yang, R.R, Li, S.H.
Deposit date:2023-09-30
Release date:2024-03-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Molecular basis of hippopotamus ACE2 binding to SARS-CoV-2.
J.Virol., 98, 2024
4BR6
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BU of 4br6 by Molmil
Crystal structure of Chaetomium thermophilum MnSOD
Descriptor: GLYCEROL, MANGANESE (III) ION, SODIUM ION, ...
Authors:Haikarainen, T, Frioux, C, Zhnag, L.-Q, Li, D.-C, Papageorgiou, A.C.
Deposit date:2013-06-04
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Biochemical Characterization of a Manganese Superoxide Dismutase from Chaetomium Thermophilum.
Biochim.Biophys.Acta, 1844, 2014
4HJR
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BU of 4hjr by Molmil
Crystal structure of F2YRS
Descriptor: Tyrosine-tRNA ligase
Authors:Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
Deposit date:2012-10-13
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
6LNY
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BU of 6lny by Molmil
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C-Like Protease with aldehyde M15
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, Replicase polyprotein 1a
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-02
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
7WB0
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BU of 7wb0 by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state with flexible H2 domain
Descriptor: NTS-DNA, RNA (115-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WAY
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BU of 7way by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state
Descriptor: DNA (27-MER), DNA (33-MER), RNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WAZ
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BU of 7waz by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at ts loading state
Descriptor: NTS-DNA, RNA (115-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WB1
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BU of 7wb1 by Molmil
PlmCasX-sgRNAv2-dsDNA ternary complex at nts loading state
Descriptor: NTS-DNA, RNA (121-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
9CSK
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BU of 9csk by Molmil
Crystal structure of CDK4 cyclin D1 in complex with atirmociclib
Descriptor: Atirmociclib, Cyclin-dependent kinase 4, G1/S-specific cyclin-D1
Authors:Johnson, E.
Deposit date:2024-07-24
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:CDK4 selective inhibition improves preclinical anti-tumor efficacy and safety.
Cancer Cell, 43, 2025
8G6F
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BU of 8g6f by Molmil
Structure of the Plasmodium falciparum 20S proteasome beta-6 A117D mutant complexed with inhibitor WLW-vs
Descriptor: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, Proteasome endopeptidase complex, Proteasome subunit alpha type-1, ...
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-02-15
Release date:2023-12-20
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023
8G6E
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BU of 8g6e by Molmil
Structure of the Plasmodium falciparum 20S proteasome complexed with inhibitor TDI-8304
Descriptor: (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, Proteasome subunit alpha type, Proteasome subunit alpha type-1, ...
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-02-15
Release date:2023-12-20
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.18 Å)
Cite:Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023
7YG6
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BU of 7yg6 by Molmil
Cryo-EM structure of the EfPiwi(N959K) in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-11
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFX
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BU of 7yfx by Molmil
Cryo-EM structure of Hili in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi-like protein 2, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-09
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YGN
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BU of 7ygn by Molmil
Cryo-EM structure of the Mili in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi-like protein 2, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-11
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFQ
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BU of 7yfq by Molmil
Cryo-EM structure of the EfPiwi (N959K)-piRNA-target ternary complex
Descriptor: MAGNESIUM ION, Piwi, RNA (5'-R(*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-08
Release date:2024-02-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024

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數據於2025-07-09公開中

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