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8DLB
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BU of 8dlb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083
分子名称: 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A.Y, Coates, L, Kneller, D.W.
登録日2022-07-07
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DMD
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BU of 8dmd by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
分子名称: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A, Coates, L, Kneller, D.W.
登録日2022-07-08
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DL9
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BU of 8dl9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z199538122
分子名称: 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase
著者Kovalevsky, A.Y, Coates, L, Kneller, D.W.
登録日2022-07-07
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
3GV3
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BU of 3gv3 by Molmil
CXCL12 (SDF) in trigonal space group
分子名称: CXCL12 protein
著者Murphy, J.W, Crichlow, G, Lolis, E.
登録日2009-03-30
公開日2010-01-26
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Heterologous quaternary structure of CXCL12 and its relationship to the CC chemokine family.
Proteins, 78, 2009
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
分子名称: D-alanine-D-alanine ligase
著者Wu, D, Zhang, L, Jiang, H, Shen, X.
登録日2007-05-10
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
3CF9
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BU of 3cf9 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ...
著者Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H.
登録日2008-03-03
公開日2008-12-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
分子名称: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-09
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.777 Å)
主引用文献BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3VFH
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BU of 3vfh by Molmil
BlaC E166A CDC-1 Acyl-Intermediate
分子名称: (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-09
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
8P6Q
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BU of 8p6q by Molmil
Racemic structure of TNFR1 cysteine-rich domain
分子名称: D-TNFR-1 CRD2, SULFATE ION, Tumor necrosis factor-binding protein 1
著者Lander, A.J, Jin, Y, Luk, L.Y.P.
登録日2023-05-28
公開日2024-01-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and d-Peptide Ligand Discovery.
Acs Bio Med Chem Au, 4, 2024
8P36
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BU of 8p36 by Molmil
Neisseria meningitidis Type IV pilus SB-DATDH variant
分子名称: 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, Neisseria meningitidis PilE, SB-DATDH variant, ...
著者Fernandez-Martinez, D, Dumenil, G.
登録日2023-05-17
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8PJP
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BU of 8pjp by Molmil
Neisseria meningitidis PilE, SB-GATDH variant, bound to the F10 nanobody
分子名称: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Nanobody F10, Pilin, ...
著者Fernandez-Martinez, D, Dumenil, G.
登録日2023-06-23
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8PIZ
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BU of 8piz by Molmil
Neisseria meningitidis Type IV pilus SB-DATDH variant bound to the C24 nanobody
分子名称: 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, C24 nanobody, Pilin, ...
著者Fernandez-Martinez, D, Dumenil, G.
登録日2023-06-22
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8P2V
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BU of 8p2v by Molmil
Neisseria meningitidis Type IV pilus SB-GATDH variant
分子名称: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Neisseria meningitidis PilE variant SB-GATDH, SN-GLYCEROL-3-PHOSPHATE
著者Fernandez-Martinez, D, Dumenil, G.
登録日2023-05-16
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8P3B
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BU of 8p3b by Molmil
Neisseria meningitidis Type IV pilus SA-GATDH variant
分子名称: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Fimbrial protein, SN-GLYCEROL-3-PHOSPHATE
著者Fernandez-Martinez, D, Dumenil, G.
登録日2023-05-17
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8PIJ
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BU of 8pij by Molmil
Neisseria meningitidis Type IV pilus SB-GATDH variant bound to the C24 nanobody
分子名称: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, C24 nanobody, Pilin, ...
著者Fernandez-Martinez, D, Dumenil, G.
登録日2023-06-21
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
3SBE
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BU of 3sbe by Molmil
Crystal structure of RAC1 P29S mutant
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-06-03
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
3SBD
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BU of 3sbd by Molmil
Crystal structure of RAC1 P29S mutant
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-06-03
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
3TH5
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BU of 3th5 by Molmil
Crystal structure of wild-type RAC1
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-08-18
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
8IGZ
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BU of 8igz by Molmil
Xcc NAMPT Quadruple mutant
分子名称: Pre-B cell enhancing factor related protein
著者Xu, G.L, Ming, Z.H.
登録日2023-02-21
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway.
Commun Biol, 7, 2024
8I79
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BU of 8i79 by Molmil
Cryo-EM structure of KCTD7 in complex with Cullin3
分子名称: BTB/POZ domain-containing protein KCTD7, Cullin-3
著者Jiang, W, Wang, W, Zheng, S.
登録日2023-01-31
公開日2023-07-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
7WHI
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BU of 7whi by Molmil
The state 2 complex structure of Omicron spike with Bn03 (2-up RBD, 4 nanobodies)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2021-12-30
公開日2022-05-11
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7WHJ
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BU of 7whj by Molmil
The state 1 complex structure of Omicron spike with Bn03 (1-up RBD, 3 nanobodies)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2021-12-30
公開日2022-05-11
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7WHK
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BU of 7whk by Molmil
The state 3 complex structure of Omicron spike with Bn03 (2-up RBD, 5 nanobodies)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2021-12-30
公開日2022-05-11
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7VSW
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BU of 7vsw by Molmil
Crystal structure of a Fab-like fragment of anti-mesothelin antibody
分子名称: heavy chain, light chain
著者Yang, Z, Ying, T.
登録日2021-10-27
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design of a Novel Fab-Like Antibody Fragment with Enhanced Stability and Affinity for Clinical use.
Small Methods, 6, 2022
7VSU
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BU of 7vsu by Molmil
Crystal structure of Fab fragment of anti-mesothelin antibody
分子名称: Light chain, heavy chain
著者Yang, Z, Ying, T.
登録日2021-10-27
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design of a Novel Fab-Like Antibody Fragment with Enhanced Stability and Affinity for Clinical use.
Small Methods, 6, 2022
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