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5WQE
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BU of 5wqe by Molmil
Crystal structure of Alicyclobacillus acidoterrestris C2c1 in complex with single-guide RNA at 3.1 Angstrom resolution
Descriptor: CRISPR-associated endonuclease C2c1, RNA (60-MER)
Authors:Liu, L, Wang, Y.L.
Deposit date:2016-11-26
Release date:2017-01-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.126 Å)
Cite:C2c1-sgRNA Complex Structure Reveals RNA-Guided DNA Cleavage Mechanism
Mol. Cell, 65, 2017
4JR7
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BU of 4jr7 by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
Descriptor: Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Liu, H.
Deposit date:2013-03-21
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
8XV4
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BU of 8xv4 by Molmil
Crystal structure of TTD-PHD domain of UHRF1 in complex with mStella peptide (residues 85-119)
Descriptor: Developmental pluripotency-associated protein 3, E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Du, X, Gan, Q, Xu, J, Liu, J.
Deposit date:2024-01-14
Release date:2024-11-06
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Defining ortholog-specific UHRF1 inhibition by STELLA for cancer therapy.
Nat Commun, 16, 2025
8XV6
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BU of 8xv6 by Molmil
Crystal structure of PHD domain of UHRF1 in complex with mStella peptide (residues 85-119)
Descriptor: Developmental pluripotency-associated protein 3, E3 ubiquitin-protein ligase UHRF1, GLYCEROL, ...
Authors:Du, X, Gan, Q, Xu, J, Liu, J.
Deposit date:2024-01-14
Release date:2024-11-06
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Defining ortholog-specific UHRF1 inhibition by STELLA for cancer therapy.
Nat Commun, 16, 2025
8XV7
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BU of 8xv7 by Molmil
Crystal structure of TTD-PHD domain of UHRF1 in complex with hStella peptide (residues 75-121)
Descriptor: ACETIC ACID, Developmental pluripotency-associated protein 3, E3 ubiquitin-protein ligase UHRF1, ...
Authors:Du, X, Gan, Q, Xu, J, Liu, J.
Deposit date:2024-01-14
Release date:2024-11-06
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Defining ortholog-specific UHRF1 inhibition by STELLA for cancer therapy.
Nat Commun, 16, 2025
5X8U
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BU of 5x8u by Molmil
Crystal Structure of the wild Human ROR gamma Ligand Binding Domain.
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8Q
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BU of 5x8q by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin.
Descriptor: (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
4K7F
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BU of 4k7f by Molmil
Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201
Descriptor: Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ...
Authors:Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X.
Deposit date:2013-04-17
Release date:2013-06-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
5V47
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BU of 5v47 by Molmil
Crystal structure of the SR1 domain of lizard sacsin
Descriptor: Lizard sacsin, SULFATE ION
Authors:Pan, T, Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
6K1P
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BU of 6k1p by Molmil
The complex of ISWI-nucleosome in the ADP.BeF-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
Authors:Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
Deposit date:2019-05-10
Release date:2019-05-29
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
5VSX
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BU of 5vsx by Molmil
Structure of the Ubl domain of Sacsin
Descriptor: Sacsin
Authors:Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
Deposit date:2017-05-13
Release date:2017-05-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
7WW2
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BU of 7ww2 by Molmil
Structure of an Isocytosine specific deaminase Vcz
Descriptor: 8-oxoguanine deaminase, ZINC ION
Authors:Li, X.J, Wu, B.X.
Deposit date:2022-02-12
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
5X8W
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BU of 5x8w by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain.
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
6JYL
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BU of 6jyl by Molmil
The crosslinked complex of ISWI-nucleosome in the ADP.BeF-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
Authors:Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
Deposit date:2019-04-26
Release date:2019-05-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
Descriptor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5X8X
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BU of 5x8x by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A.
Descriptor: (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
4KR1
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BU of 4kr1 by Molmil
Crystal structure of the kinetechore protein Iml3 from budding yeast
Descriptor: Central kinetochore subunit IML3
Authors:Tao, Y, Guo, Q, Teng, M.
Deposit date:2013-05-16
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the role of the Chl4-Iml3 complex in kinetochore assembly
Acta Crystallogr.,Sect.D, 69, 2013
4J99
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BU of 4j99 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659T Mutation.
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8474 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
6L7A
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BU of 6l7a by Molmil
CsgFG complex in Curli biogenesis system
Descriptor: CsgF, Curli production assembly/transport protein CsgG
Authors:Yan, Z.F, Yin, M, Chen, J.N, Li, X.M.
Deposit date:2019-11-01
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Assembly and substrate recognition of curli biogenesis system.
Nat Commun, 11, 2020
4QQ5
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BU of 4qq5 by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-26
Release date:2014-10-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4JPO
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BU of 4jpo by Molmil
5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1
Descriptor: 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3
Authors:Lovell, S, Battaile, K.P, Singh, R, Roelofs, J.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5 Å)
Cite:Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
4J96
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BU of 4j96 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic Gain-of-Function K659M Mutation Identified in Cervical Cancer.
Descriptor: CITRATE ANION, Fibroblast growth factor receptor 2, MAGNESIUM ION, ...
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2972 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4HZ0
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BU of 4hz0 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: 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION
Authors:Bensen, D.C, Trzoss, M, Tari, L.W.
Deposit date:2012-11-14
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 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
7F2S
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BU of 7f2s by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form
Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
Deposit date:2021-06-14
Release date:2021-12-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
7F35
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BU of 7f35 by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin
Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Antibody Fab fragment heavy chain, ...
Authors:Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
Deposit date:2021-06-15
Release date:2021-12-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021

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数据于2025-07-09公开中

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