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6UDA
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BU of 6uda by Molmil
Cryo-EM structure of CH235UCA bound to Man5-enriched CH505.N279K.G458Y.SOSIP.664
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CH235 UCA heavy chain Fab, CH235 UCA light chain Fab, ...
著者Henderson, R, Acharya, P.
登録日2019-09-19
公開日2019-10-02
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancester of CH235 lineage CD4bs broadly neutralizing antibodies.
Plos Pathog., 15, 2019
6UFX
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BU of 6ufx by Molmil
WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
分子名称: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5
著者Rietz, T.A, Fesik, S.W, Zhao, B.
登録日2019-09-25
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6U36
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BU of 6u36 by Molmil
PCSK9 in complex with a Fab and compound 14
分子名称: 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6UCS
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BU of 6ucs by Molmil
Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
分子名称: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5
著者Zhao, B.
登録日2019-09-17
公開日2020-01-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6SG4
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BU of 6sg4 by Molmil
Structure of CDK2/cyclin A M246Q, S247EN
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A.
登録日2019-08-02
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
6UH9
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BU of 6uh9 by Molmil
Crystal structure of DAD2 D166A mutant
分子名称: Decreased Apical Dominance 2, TETRAETHYLENE GLYCOL
著者Sharma, P, Hamiaux, C, Snowden, K.C.
登録日2019-09-27
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Flexibility of the petunia strigolactone receptor DAD2 promotes its interaction with signaling partners.
J.Biol.Chem., 295, 2020
2KLR
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BU of 2klr by Molmil
Solid-state NMR structure of the alpha-crystallin domain in alphaB-crystallin oligomers
分子名称: Alpha-crystallin B chain
著者Jehle, S, Rajagopal, P, Markovic, S, Bardiaux, B, Kuehne, R, Higman, V.A, Klevit, R.E, van Rossum, B, Oschkinat, H.
登録日2009-07-08
公開日2010-07-07
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers.
Nat.Struct.Mol.Biol., 17, 2010
6TYB
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BU of 6tyb by Molmil
Isolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields
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, Envelope glycoprotein gp160, ...
著者Gorman, J, Kwong, P.D.
登録日2019-08-08
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Isolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields.
Immunity, 51, 2019
6U30
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BU of 6u30 by Molmil
The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4
分子名称: 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2019-08-21
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
6U3X
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BU of 6u3x by Molmil
PCSK9 in complex with compound 2
分子名称: 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-22
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U26
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BU of 6u26 by Molmil
PCSK9 in complex with compound 16
分子名称: 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2019-08-19
公開日2019-11-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2P
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BU of 6u2p by Molmil
PCSK9 in complex with compound 5
分子名称: 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2019-09-09
公開日2019-11-06
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6UCE
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BU of 6uce by Molmil
N123-VRC34_pI3 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide, N123-VRC34_pI3 heavy chain, N123-VRC34_pI3 light chain
著者Xu, K, Kwong, P.D.
登録日2019-09-16
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.382 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6U3Z
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BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dionne, G, Shapiro, L.
登録日2019-08-22
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99002314 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6UCF
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BU of 6ucf by Molmil
N123-VRC34_pI4 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide, N123-VRC34_pI4 heavy chain, N123-VRC34_pI4 light chain
著者Xu, K, Kwong, P.D.
登録日2019-09-16
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Durbin, J.D, Wang, J, Afshar, S.
登録日2019-09-30
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
7NHS
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BU of 7nhs by Molmil
Wzc K540M C8
分子名称: Putative transmembrane protein Wzc
著者Naismith, J.H, Liu, J.W, Yang, Y.
登録日2021-02-11
公開日2021-08-25
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7NII
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BU of 7nii by Molmil
Wzc-K540M MgADP C1
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative transmembrane protein Wzc
著者Naismith, J.H, Liu, J.W, Yang, Y.
登録日2021-02-12
公開日2021-08-25
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7NI2
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BU of 7ni2 by Molmil
Wzc-K540M-4YE C8
分子名称: Tyrosine-protein kinase
著者Naismith, J.H, Liu, J.W, Yang, Y.
登録日2021-02-11
公開日2021-08-25
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
1EIJ
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BU of 1eij by Molmil
NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615
分子名称: HYPOTHETICAL PROTEIN MTH1615
著者Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-02-25
公開日2000-11-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
7NIB
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BU of 7nib by Molmil
Wzc-K540M-4YE C1
分子名称: Tyrosine-protein kinase
著者Naismith, J.H, Liu, J.W, Yang, Y.
登録日2021-02-11
公開日2021-08-25
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7NG7
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BU of 7ng7 by Molmil
Src kinase bound to eCF506 trapped in inactive conformation
分子名称: 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
著者Lietha, D, Unciti-Broceta, A.
登録日2021-02-08
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
7N4J
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BU of 7n4j by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2173.
分子名称: Spike protein S1, WRAIR-2173 antibody Fab heavy chain, WRAIR-2173 antibody Fab light chain, ...
著者Sankhala, R.S, Joyce, M.G.
登録日2021-06-04
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.207 Å)
主引用文献Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7N4I
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BU of 7n4i by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2057.
分子名称: GLYCEROL, Spike protein S1, WRAIR-2057 Antibody Fab Heavy Chain, ...
著者Sankhala, R.S, Joyce, M.G.
登録日2021-06-04
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021

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