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5ODG
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BU of 5odg by Molmil
Crystal structure of Smad3-MH1 bound to the GGCT site.
Descriptor: CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ...
Authors:Kaczmarska, Z, Marquez, J.A, Macias, M.J.
Deposit date:2017-07-05
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
Descriptor: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2016-01-27
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
7C83
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BU of 7c83 by Molmil
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D.
Deposit date:2020-05-28
Release date:2021-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism.
Nat Commun, 12, 2021
7C8J
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BU of 7c8j by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
Descriptor: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
Authors:Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
Deposit date:2020-06-01
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C8K
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BU of 7c8k by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat 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:Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
Deposit date:2020-06-02
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
Authors:Shen, L, Zhang, Y.
Deposit date:2016-05-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
2GIZ
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BU of 2giz by Molmil
Structural and functional analysis of Natrin, a member of crisp-3 family blocks a variety of ion channels
Descriptor: Natrin-1
Authors:Jiang, T, Wang, F, Li, H, Yin, C, Zhou, Y, Shu, Y, Qi, Z, Lin, Z.
Deposit date:2006-03-30
Release date:2006-11-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and functional analysis of natrin, a venom protein that targets various ion channels
Biochem.Biophys.Res.Commun., 351, 2006
8WH5
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BU of 8wh5 by Molmil
Structure of DDM1-nucleosome complex in the apo state
Descriptor: ATP-dependent DNA helicase DDM1, DNA (antisense strand), DNA (sense strand), ...
Authors:Liu, Y, Zhang, Z, Du, J.
Deposit date:2023-09-22
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
8WH8
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BU of 8wh8 by Molmil
Structure of DDM1-nucleosome complex in ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, DNA (antisense strand), ...
Authors:Liu, Y, Zhang, Z, Du, J.
Deposit date:2023-09-22
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
8WHB
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BU of 8whb by Molmil
Structure of nucleosome core particle of Arabidopsis thaliana
Descriptor: DNA (antisense strand), DNA (sense strand), Histone H2A.6, ...
Authors:Liu, Y, Zhang, Z, Du, J.
Deposit date:2023-09-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
8WHA
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BU of 8wha by Molmil
Structure of DDM1-nucleosome complex in the ADP-BeFx state with DDM1 bound to SHL2 and SHL-2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Liu, Y, Zhang, Z, Du, J.
Deposit date:2023-09-22
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
8WH9
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BU of 8wh9 by Molmil
Structure of DDM1-nucleosome complex in ADP-BeFx state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Liu, Y, Zhang, Z, Du, J.
Deposit date:2023-09-22
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
5OVQ
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BU of 5ovq by Molmil
Crystal Structure of the peroxiredoxin (AhpC2) from the Hyperthermophilic bacteria Aquifex aeolicus VF
Descriptor: Peroxiredoxin, UNKNOWN LIGAND
Authors:Warkentin, E, Peng, G.
Deposit date:2017-08-29
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural properties of the peroxiredoxin AhpC2 from the hyperthermophilic eubacterium Aquifex aeolicus.
Biochim Biophys Acta Gen Subj, 1862, 2018
7BW4
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BU of 7bw4 by Molmil
Structure of the RNA-dependent RNA polymerase from SARS-CoV-2
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
Authors:Peng, Q, Peng, R, Shi, Y.
Deposit date:2020-04-13
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2.
Cell Rep, 31, 2020
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7C8D
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BU of 7c8d by Molmil
Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD
Descriptor: Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION
Authors:Gao, G.F, Wang, Q.H, Wu, L.l.
Deposit date:2020-05-29
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
Descriptor: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
Authors:Zhou, X, Hong, Y.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
8WU7
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BU of 8wu7 by Molmil
Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
Descriptor: Isoprenyl transferase
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2023-10-20
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8WU6
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BU of 8wu6 by Molmil
Structure of a Nerylneryl Diphosphate Synthase from Solanum lycopersicum
Descriptor: Nerylneryl diphosphate synthase CPT2, chloroplastic
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2023-10-20
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8YLZ
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BU of 8ylz by Molmil
Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
Descriptor: Isoprenyl transferase
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2024-03-07
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
7CMZ
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BU of 7cmz by Molmil
Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8
Descriptor: DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ...
Authors:Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N.
Deposit date:2020-07-29
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
Descriptor: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
Descriptor: Envelope glycoprotein,AP1, GLYCEROL
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015

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