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3EN7
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BU of 3en7 by Molmil
Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor
分子名称: 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
3G6Z
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BU of 3g6z by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
5D79
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BU of 5d79 by Molmil
Structure of BBE-like #28 from Arabidopsis thaliana
分子名称: Berberine bridge enzyme-like protein, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Daniel, B, Kumar, P, Gruber, K.
登録日2015-08-13
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Structure of a Berberine Bridge Enzyme-Like Enzyme with an Active Site Specific to the Plant Family Brassicaceae.
Plos One, 11, 2016
3G72
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BU of 3g72 by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
3G70
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BU of 3g70 by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
8QSQ
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BU of 8qsq by Molmil
Locally refined SARS-CoV-2 BA-2.86 Spike receptor binding domain (RBD) complexed with angiotensin converting enzyme 2 (ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S2'
著者Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
登録日2023-10-11
公開日2024-05-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QQI
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BU of 8qqi by Molmil
E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
分子名称: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
著者Ghilarov, D, Martin, N.I, van der Stelt, M.
登録日2023-10-04
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 2024
6O9C
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BU of 6o9c by Molmil
Crystal structure of HLA-A3*01 in complex with a mutant beta-catenin peptide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, Catenin beta-1, ...
著者Miller, M.S, Gabelli, S.B.
登録日2019-03-13
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
6OFE
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BU of 6ofe by Molmil
Helical reconstruction of Type III Secretion System Needle filament mutant-PrgI S49A
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
6OFG
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In vitro polymerized PrgI V67A filaments
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
6OFF
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BU of 6off by Molmil
High-resolution filamentous structures of in vitro polymerized PrgI needle
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
6O9B
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BU of 6o9b by Molmil
Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
著者Miller, M.S, Gabelli, S.B.
登録日2019-03-13
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
6OFH
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BU of 6ofh by Molmil
Structure of Salmonella type III secretion system needle filament
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
5F5W
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BU of 5f5w by Molmil
Crystal structure of the alpha subunit of glycyl tRNA synthetase (GlyRS) from Aquifex aeolicus in complex with an analog of glycyl adenylate (Gly-SA)
分子名称: 5'-O-(glycylsulfamoyl)adenosine, Glycine--tRNA ligase alpha subunit
著者Valencia-Sanchez, M.I, Torres-Larios, A.
登録日2015-12-04
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Insights into the Polyphyletic Origins of Glycyl tRNA Synthetases.
J.Biol.Chem., 291, 2016
6UJ8
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BU of 6uj8 by Molmil
Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
著者Miller, M.S, Thirawatananond, P, Gabelli, S.B.
登録日2019-10-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UJ9
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Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B.
登録日2019-10-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UJ7
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BU of 6uj7 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Miller, M.S, Thirawatananond, P, Gabelli, S.B.
登録日2019-10-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
8QRG
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BU of 8qrg by Molmil
SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-10-07
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QX9
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BU of 8qx9 by Molmil
TDP-43 amyloid fibrils: Morphology-1a
分子名称: TAR DNA-binding protein 43
著者Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M.
登録日2023-10-24
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
8QTD
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BU of 8qtd by Molmil
Local refinement of SARS-CoV-2 BA.2.86 Spike and XBB-7 Fab
分子名称: Spike glycoprotein,Fibritin, XBB-7 fab heavy chain, XBB-7 fab light chain
著者Ren, J, Duyvesteyn, H.M.E, Stuart, D.I.
登録日2023-10-12
公開日2024-05-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QRF
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BU of 8qrf by Molmil
SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs
分子名称: Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-10-06
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8R80
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BU of 8r80 by Molmil
SARS-CoV-2 Delta RBD in complex with XBB-9 Fab and an anti-Fab nanobody
分子名称: Spike protein S1, XBB-9 Fab heavy chain, XBB-9 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-11-27
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (4.03 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8R8K
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BU of 8r8k by Molmil
XBB-4 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
分子名称: Spike glycoprotein,Fibritin, XBB-4 Fab Heavy chain, XBB-4 Fab Light chain
著者Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
登録日2023-11-29
公開日2024-05-08
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QXB
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BU of 8qxb by Molmil
TDP-43 amyloid fibrils: Morphology-2
分子名称: TAR DNA-binding protein 43
著者Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M.
登録日2023-10-24
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024

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