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3H70
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BU of 3h70 by Molmil
Crystal structure of o-succinylbenzoic acid synthetase from staphylococcus aureus Complexed with mg in the active site
分子名称: MAGNESIUM ION, O-succinylbenzoic acid (OSB) synthetase
著者Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-04-24
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QP3
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BU of 6qp3 by Molmil
Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168)
分子名称: ACETATE ION, Cystathionine beta-lyase PatB, PYRIDOXAL-5'-PHOSPHATE
著者Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
8JEY
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BU of 8jey by Molmil
Cryo-EM structure of alpha-synuclein pS87 fibril
分子名称: Alpha-synuclein
著者Xia, W.C, Sun, Y.P, Liu, C.
登録日2023-05-16
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures.
Nat Commun, 15, 2024
8CTG
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BU of 8ctg by Molmil
Extracellular architecture of an engineered canonical Wnt signaling ternary complex
分子名称: Frizzled-8, Low-density lipoprotein receptor-related protein 6, PALMITOLEIC ACID, ...
著者Tsutsumi, N, Jude, K.M, Garcia, K.C.
登録日2022-05-14
公開日2023-03-15
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination.
Proc.Natl.Acad.Sci.USA, 120, 2023
5WWU
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BU of 5wwu by Molmil
Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-05
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
5WXD
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BU of 5wxd by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
分子名称: Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
5W77
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BU of 5w77 by Molmil
Solution structure of the MYC G-quadruplex bound to small molecule DC-34
分子名称: 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION
著者Chen, X, Walters, K.J.
登録日2017-06-19
公開日2018-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.
Nat Commun, 9, 2018
8DWH
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BU of 8dwh by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16
分子名称: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
4X20
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BU of 4x20 by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
8DWG
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BU of 8dwg by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382
分子名称: 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DWC
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BU of 8dwc by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
4X1I
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BU of 4x1i by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-24
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
3CT2
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BU of 3ct2 by Molmil
Crystal structure of muconate cycloisomerase from Pseudomonas fluorescens
分子名称: MAGNESIUM ION, Muconate cycloisomerase
著者Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-04-11
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes.
Biochemistry, 48, 2009
4X1Y
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BU of 4x1y by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Parris, K.D.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
6U7N
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BU of 6u7n by Molmil
Crystal structure of neurotrimin (NTM)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ...
著者Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S.
登録日2019-09-03
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.321 Å)
主引用文献Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
6XCR
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BU of 6xcr by Molmil
NMR structure of Ost4 in DPC micelles
分子名称: Oligosaccharyltransferase
著者Chaudhary, B.P.
登録日2020-06-09
公開日2021-02-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8K0S
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BU of 8k0s by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 with 10-nt TRS at symmetric apo state
分子名称: MAGNESIUM ION, RNA (543-MER)
著者Zhu, H.Z, Liu, J.J.G.
登録日2023-07-10
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
3JTY
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BU of 3jty by Molmil
Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5
分子名称: BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE
著者Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-09-14
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010
8K15
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BU of 8k15 by Molmil
The Streptococcus azizii ORF-less Group IIC intron HYER2 at apo state
分子名称: MAGNESIUM ION, RNA (470-MER)
著者Zhu, H.Z, Liu, J.J.G.
登録日2023-07-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
8K0R
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BU of 8k0r by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 at symmetric post cleavge state
分子名称: DNA, MAGNESIUM ION, RNA (542-MER)
著者Zhu, H.Z, Liu, J.J.G.
登録日2023-07-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
8K0Q
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BU of 8k0q by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 at symmetric pre-cleavage state
分子名称: DNA, MAGNESIUM ION, RNA (542-MER)
著者Zhu, H.Z, Liu, J.J.G.
登録日2023-07-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
8K0P
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BU of 8k0p by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 at symmetric apo state
分子名称: MAGNESIUM ION, RNA (542-MER)
著者Zhu, H.Z, Liu, J.J.G.
登録日2023-07-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024

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