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8ZLP
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BU of 8zlp by Molmil
apo WT polymorph 5a alpha-synuclein fibril
Descriptor: Alpha-synuclein
Authors:Liu, K.E, Tao, Y.Q, Li, D, Liu, C.
Deposit date:2024-05-20
Release date:2024-09-11
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Proc.Natl.Acad.Sci.USA, 121, 2024
7BFZ
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BU of 7bfz by Molmil
X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490
Descriptor: (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rakhimbekova, A, Motlova, L, Barinka, C.
Deposit date:2021-01-05
Release date:2021-08-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging.
Nat Commun, 12, 2021
2FZP
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BU of 2fzp by Molmil
Crystal structure of the USP8 interaction domain of human NRDP1
Descriptor: ring finger protein 41 isoform 1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-02-10
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
8ZDX
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BU of 8zdx by Molmil
Crystal structure of MjHKU4r-CoV-1 RBD bound to hDPP4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Yang, M, Li, Z, Xu, Y, Zhang, S.
Deposit date:2024-05-03
Release date:2024-10-30
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for human DPP4 receptor recognition by a pangolin MERS-like coronavirus.
Plos Pathog., 20, 2024
8ZE6
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BU of 8ze6 by Molmil
Crystal structure of MjHKU4r-CoV-1 RBD bound to MjDPP4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Yang, M, Li, Z, Xu, Y, Zhang, S.
Deposit date:2024-05-04
Release date:2024-10-30
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for human DPP4 receptor recognition by a pangolin MERS-like coronavirus.
Plos Pathog., 20, 2024
5HC1
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BU of 5hc1 by Molmil
Structure of EAV NSP11 H141A mutant at 3.10A
Descriptor: Non-structural protein 11
Authors:Zhang, M.F, Chen, Z.Z.
Deposit date:2016-01-04
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
Descriptor: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
Authors:Irani, S, Zhang, Y.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
8YQV
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BU of 8yqv by Molmil
African swine fever virus RNA Polymerase core
Descriptor: C122R, C147L, D339L, ...
Authors:Feng, X.Y.
Deposit date:2024-03-20
Release date:2024-11-06
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Transcription regulation of African swine fever virus: dual role of M1249L.
Nat Commun, 15, 2024
8JFU
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BU of 8jfu by Molmil
AcrIIA15 in complex with palindromic DNA substrate
Descriptor: AcrIIA15, DNA (5'-D(*AP*TP*TP*AP*TP*GP*AP*CP*AP*AP*AP*TP*GP*TP*CP*AP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*GP*AP*CP*AP*TP*TP*TP*GP*TP*CP*AP*TP*AP*A)-3')
Authors:Deng, X, Wang, Y.
Deposit date:2023-05-18
Release date:2024-02-28
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024
8JFO
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BU of 8jfo by Molmil
Crystal structure of anti-CRISPR protein AcrIIA15
Descriptor: AcrIIA15
Authors:Deng, X, Wang, Y.
Deposit date:2023-05-18
Release date:2024-02-28
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024
8JFR
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BU of 8jfr by Molmil
N-terminal domain of AcrIIA15 in complex with palindromic DNA substrate
Descriptor: AcrIIA15, DNA (5'-D(*AP*TP*TP*AP*TP*GP*AP*CP*AP*AP*AP*TP*GP*TP*CP*AP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*GP*AP*CP*AP*TP*TP*TP*GP*TP*CP*AP*TP*AP*A)-3')
Authors:Deng, X, Wang, Y.
Deposit date:2023-05-18
Release date:2024-02-28
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024
8JG9
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BU of 8jg9 by Molmil
Cryo-EM structure of the SaCas9-sgRNA-AcrIIA15-promoter DNA dimer
Descriptor: AcrIIA15, CRISPR-associated endonuclease Cas9, DNA (25-MER), ...
Authors:Deng, X, Wang, Y.
Deposit date:2023-05-20
Release date:2024-02-28
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024
8JFT
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BU of 8jft by Molmil
Cryo-EM structure of SaCas9-AcrIIA15 CTD-sgRNA complex
Descriptor: AcrIIA15, CRISPR-associated endonuclease Cas9, sgRNA of SaCas9
Authors:Deng, X, Wang, Y.
Deposit date:2023-05-18
Release date:2024-02-28
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024
6IRO
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BU of 6iro by Molmil
the crosslinked complex of ISWI-nucleosome in the ADP-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ...
Authors:Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
Deposit date:2018-11-13
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat. Struct. Mol. Biol., 26, 2019
5UN6
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BU of 5un6 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, A1 dataset
Descriptor: Designed Wnt agonist B12, Frizzled-8
Authors:Janda, C.Y, Garcia, K.C, Jude, K.M.
Deposit date:2017-01-30
Release date:2017-05-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
4HYP
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BU of 4hyp by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
Authors:Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:2012-11-13
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HZ5
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BU of 4hz5 by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
Descriptor: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit
Authors:Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:2012-11-14
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HXZ
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BU of 4hxz by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B
Authors:Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
5V7Q
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BU of 5v7q by Molmil
Cryo-EM structure of the large ribosomal subunit from Mycobacterium tuberculosis bound with a potent linezolid analog
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Zhang, J.
Deposit date:2017-03-20
Release date:2017-09-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
7VVE
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BU of 7vve by Molmil
Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ...
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-05
Release date:2022-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W44
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BU of 7w44 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-26
Release date:2022-03-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7VVC
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BU of 7vvc by Molmil
Crystal structure of inactive mutant of leaf-branch compost cutinase variant
Descriptor: ACETATE ION, ACETIC ACID, CALCIUM ION, ...
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-05
Release date:2022-03-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W45
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BU of 7w45 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
Descriptor: CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-26
Release date:2022-03-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W1N
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BU of 7w1n by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP
Descriptor: 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-19
Release date:2022-03-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
5V44
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BU of 5v44 by Molmil
Crystal structure of the SR1 domain of human sacsin
Descriptor: GLYCEROL, Sacsin
Authors:Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018

238582

數據於2025-07-09公開中

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