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6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
分子名称: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Niu, Y, Wang, H, Zhang, Y, Feng, Y.
登録日2019-09-18
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
6UEG
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BU of 6ueg by Molmil
Pseudomonas aeruginosa LpxA Complex Structure with Ligand
分子名称: 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM ION
著者Chen, Y, Kroeck, K, Sacco, M.
登録日2019-09-20
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
4Q2K
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BU of 4q2k by Molmil
Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b
分子名称: (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide, Chymotrypsinogen A
著者Chan, H.Y, Bruning, J.B, Abell, A.D.
登録日2014-04-09
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Macrocyclic protease inhibitors with reduced peptide character.
Angew.Chem.Int.Ed.Engl., 53, 2014
6B0R
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BU of 6b0r by Molmil
Zinc finger Domain of WT1(-KTS form) with M342R Mutation and 14+1mer Oligonucleotide with 3' Triplet TGG
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.818 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
4XW2
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BU of 4xw2 by Molmil
Structural basis for simvastatin competitive antagonism of complement receptor 3
分子名称: Integrin alpha-M, MAGNESIUM ION, Simvastatin acid
著者Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R.
登録日2015-01-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
6UEE
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BU of 6uee by Molmil
Pseudomonas aeruginosa LpxA Complex Structure with Ligand
分子名称: 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL
著者Chen, Y, Kroeck, K, Sacco, M.
登録日2019-09-20
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
6UEC
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BU of 6uec by Molmil
Pseudomonas aeruginosa LpxD Complex Structure with Ligand
分子名称: 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Chen, Y, Kroeck, K, Sacco, M.
登録日2019-09-20
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
6UN3
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BU of 6un3 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ...
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
分子名称: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
著者Sacco, M, Wang, J, Chen, Y.
登録日2022-12-16
公開日2023-08-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
分子名称: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
著者Sacco, M, Wang, J, Chen, Y.
登録日2022-12-16
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
6UN1
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BU of 6un1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin
分子名称: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
3B7B
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BU of 3b7b by Molmil
EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 1)
分子名称: Euchromatic histone-lysine N-methyltransferase 1, SULFATE ION
著者Collins, R.E, Horton, J.R, Cheng, X.
登録日2007-10-30
公開日2008-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules
Nat.Struct.Mol.Biol., 15, 2008
6BLW
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BU of 6blw by Molmil
Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-11-11
公開日2018-01-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
6VEN
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BU of 6ven by Molmil
Yeast COMPASS in complex with a ubiquitinated nucleosome
分子名称: 601 DNA (146-MER), COMPASS component BRE2, COMPASS component SDC1, ...
著者Worden, E.J, Wolberger, C.
登録日2020-01-02
公開日2020-01-15
最終更新日2020-01-22
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structural basis for COMPASS recognition of an H2B-ubiquitinated nucleosome.
Elife, 9, 2020
4M5E
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BU of 4m5e by Molmil
Tse3 structure
分子名称: CADMIUM ION, CALCIUM ION, GLYCEROL, ...
著者Qian, Y.
登録日2013-08-08
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
8GI5
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BU of 8gi5 by Molmil
Cryo-EM of self-assembling pyrene peptide with Ca2+
分子名称: Pyrene peptide
著者Rich-New, S.T, Guo, J, Xu, B, Wang, F.
登録日2023-03-13
公開日2023-06-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023
8TLF
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BU of 8tlf by Molmil
CDCA7 (Mouse) Binds Non-B-form DNA oligo 36-mer (sg C2-Form 2)
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, GLYCEROL, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLH
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BU of 8tlh by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLK
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BU of 8tlk by Molmil
CDCA7 (Human) Binds Non-B-form 32-mer DNA oligo Containing a 5mC
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLJ
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BU of 8tlj by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo Containing a 5mC
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLL
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BU of 8tll by Molmil
CDCA7 (Mouse) Binds Non-B-form 26-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (26-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Sci Adv, 10, 2024
8TLE
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BU of 8tle by Molmil
CDCA7 (Mouse) Binds Non-B-form 36-mer DNA oligo (sg C2-Form 1)
分子名称: Cell division cycle-associated protein 7, MAGNESIUM ION, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLG
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BU of 8tlg by Molmil
CDCA7 (Mouse) Binds Non-B-form 34-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (34-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
6UUN
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BU of 6uun by Molmil
CryoEM Structure of the active Adrenomedullin 1 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-30
公開日2020-03-25
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
分子名称: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
著者Gao, G.G, Shi, Y, Peng, R, Liu, S.
登録日2016-10-01
公開日2016-11-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016

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