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6V6W
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BU of 6v6w by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-100aA) in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22
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, 35O22 Fab Heavy chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-12-06
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
7BOR
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BU of 7bor by Molmil
Structure of Pseudomonas aeruginosa CoA-bound OdaA
分子名称: COENZYME A, Probable enoyl-CoA hydratase/isomerase
著者Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R.
登録日2020-03-19
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
6O3U
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BU of 6o3u by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with 06:0 PA
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, GLYCEROL, PGZL1.H4K3 heavy chain, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.105 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O42
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BU of 6o42 by Molmil
Crystal structure of the germline PGZL1 (PGZL1_gVmDmJ) Fab in complex with MPER peptide epitope.
分子名称: GLYCEROL, MPER peptide, region 671-683 of HIV-1 gp41, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
7T47
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KRAS G12D (GppCp) with MRTX-1133
分子名称: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ...
著者Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A.
登録日2021-12-09
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors
Nature, 2022
6UUM
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BU of 6uum by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-Cys100aA)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, B11 DSS Fab Heavy Chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
6UUL
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BU of 6uul by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, D5 Fab Heavy Chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
6UTK
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BU of 6utk by Molmil
Crystal structure of 438-B11 Fab in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22 at 3.80 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-29
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
6UUH
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BU of 6uuh by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody 438-B11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B11 Fab Heavy Chain, B11 Fab Light Chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
5WYD
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BU of 5wyd by Molmil
Structural of Pseudomonas aeruginosa DspI
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ...
著者Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
登録日2017-01-12
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
5JS9
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BU of 5js9 by Molmil
Uncleaved prefusion optimized gp140 trimer with an engineered 8-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128
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, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kong, L, Wilson, I.A.
登録日2016-05-07
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (6.918 Å)
主引用文献Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
5JSA
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BU of 5jsa by Molmil
Uncleaved prefusion optimized gp140 trimer with an engineered 10-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128
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, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kong, L, Wilson, I.A.
登録日2016-05-07
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (6.308 Å)
主引用文献Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
5YFE
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BU of 5yfe by Molmil
Enzymatic and structural characterization of the poly (ethylene terephthalate) hydrolase PETase from I. sakaiensis
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Bao, R, He, L.H, Liu, B.
登録日2017-09-21
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis.
Chembiochem, 2018
8TTY
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BU of 8tty by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 5
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, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ...
著者Critton, D.A.
登録日2023-08-15
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8TTZ
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BU of 8ttz by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 20
分子名称: (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Critton, D.A.
登録日2023-08-15
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
分子名称: DRVIA7 Heavy Chain, DRVIA7 Light Chain
著者Kong, L, Wilson, I.A.
登録日2015-07-02
公開日2016-04-06
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
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, 93TH057 HIV-1 gp120 core, ...
著者Kong, L, Wilson, I.A.
登録日2015-07-03
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
7KKZ
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BU of 7kkz by Molmil
Crystal structure of mouse anti-HIV potent neutralizing antibody M4H2K1
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Heavy chain of Fab fragment of mouse monoclonal antibody M4H2K1, ...
著者Kumar, S, Wilson, I.A.
登録日2020-10-28
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
7KLC
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BU of 7klc by Molmil
Crystal structure of M4H2K1 Fab bound to HIV-1 BG505 gp120 core and to 17b Fab
分子名称: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kumar, S, Wilson, I.A.
登録日2020-10-29
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
7KMD
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BU of 7kmd by Molmil
Crystal structure of a HIV-1 clade C isolate Du172.17 HR1.R4.664 Env trimer in complex with human Fabs PGT124 and 35O22
分子名称: 124 Heavy chain, 124 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kumar, S, Wilson, I.A.
登録日2020-11-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.39228582 Å)
主引用文献Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
分子名称: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
著者Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
登録日2019-01-12
公開日2019-04-03
最終更新日2024-03-27
実験手法ELECTRON CRYSTALLOGRAPHY (0.96 Å)
主引用文献Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
分子名称: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Wei, C.
登録日2019-01-08
公開日2019-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
分子名称: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-30
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6BKB
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BU of 6bkb by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3A
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, Fab AR3A heavy chain, ...
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2017-11-08
公開日2018-12-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019

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