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6W13
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BU of 6w13 by Molmil
Human 8-oxoguanine glycosylase interrogating fully intrahelical oxoG lesion DNA
分子名称: 2-(2-ethoxyethoxy)ethanethiol, ACETATE ION, DNA (5'-D(P*AP*CP*CP*TP*GP*G)-3'), ...
著者Shigdel, U, Verdine, G.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
6W1K
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BU of 6w1k by Molmil
Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Oryza sativa
分子名称: 2-OXOADIPIC ACID, Hydroxyglutarate synthase, NICKEL (II) ION, ...
著者Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D.
登録日2020-03-04
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
6W4K
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Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
分子名称: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Hosfield, D.J.
登録日2020-03-11
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
6VVB
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BU of 6vvb by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10)
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ...
著者Tyrakis, P, Dias, M.V.B.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VM9
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BU of 6vm9 by Molmil
T4H2 T cell receptor bound to HLA-A2 presenting gp100T2M peptide (IMDQVPFSV)
分子名称: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ...
著者Smith, A.R, Baker, B.M.
登録日2020-01-27
公開日2021-01-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner
Proc.Natl.Acad.Sci.USA, 118, 2021
6VO7
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Crystal structure of PI3K-alpha Ras Binding Domain (RBD)
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Carey, L.M, Martinez, N.G, Campbell, S.
登録日2020-01-30
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Biophysical and Structural Characterization of Novel RAS-Binding Domains (RBDs) of PI3K alpha and PI3K gamma.
J.Mol.Biol., 433, 2021
6W0M
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Human 8-oxoguanine glycosylase crosslinked with oxoG lesion containing DNA
分子名称: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ...
著者Shigdel, U, Verdine, G.
登録日2020-03-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
6W0R
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Human 8-oxoguanine glycosylase interrogating fully intrahelical undamaged DNA
分子名称: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*AP*GP*GP*TP*C)-3'), DNA (5'-D(P*CP*CP*TP*GP*G)-3'), ...
著者Shigdel, U, Verdine, G.
登録日2020-03-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
6W15
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Crystal structure of tRNA (guanine-N(1)-)-methyltransferase with bound SAH from Mycobacterium smegmatis
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-03-03
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of tRNA (guanine-N(1)-)-methyltransferase with bound SAH from Mycobacterium smegmatis
to be published
6W1H
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BU of 6w1h by Molmil
Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Pseudomonas putida
分子名称: 2-OXOADIPIC ACID, Hydroxyglutarate synthase, NICKEL (II) ION
著者Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D.
登録日2020-03-04
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
6W9U
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BU of 6w9u by Molmil
Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP
分子名称: 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ...
著者Awad, W, Rossjohn, J.
登録日2020-03-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
6VJI
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Structure of mammalian NEIL2 from Monodelphis domestica
分子名称: Nei like DNA glycosylase 2, ZINC ION
著者Eckenroth, B.E, Doublie, S.
登録日2020-01-16
公開日2020-08-12
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments.
Structure, 29, 2021
6VPH
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BU of 6vph by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in complex with AMP-PNP
分子名称: CHLORIDE ION, DITHIANE DIOL, GLYCEROL, ...
著者Lim, D.C, Yaffe, M.B.
登録日2020-02-03
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VMC
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BU of 6vmc by Molmil
T4H2 T cell receptor bound to HLA-A2 presenting gp100T2L peptide (ILDQVPFSV)
分子名称: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
著者Smith, A.R, Baker, B.M.
登録日2020-01-27
公開日2021-01-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner
Proc.Natl.Acad.Sci.USA, 118, 2021
6W3H
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BU of 6w3h by Molmil
Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, ATV Fc, Transferrin receptor protein 1,Transferrin receptor protein 1
著者Srivastava, A, Kariolis, M, Wells, R.
登録日2020-03-09
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys.
Sci Transl Med, 12, 2020
6VPJ
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TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TPX2 fragment - Aurora A kinase domain fusion, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Lim, D.C, Yaffe, M.B.
登録日2020-02-03
公開日2020-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VM8
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SILv44 T cell receptor bound to HLA-A2 presenting gp100T2M peptide (IMDQVPFSV)
分子名称: Beta-2-microglobulin, CITRATE ANION, MHC class I antigen, ...
著者Smith, A.R, Baker, B.M.
登録日2020-01-27
公開日2020-11-25
最終更新日2021-06-09
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
著者Noeske, J, Shu, W, Bellamacina, C.
登録日2020-03-24
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6VLA
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Hs05 - Intragenic antimicrobial peptide
分子名称: Intragenic antimicrobial peptide
著者Santos, M.A, Silva, E.M.C, Brand, G.D, Oliveira, A.L.
登録日2020-01-23
公開日2020-12-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Characterization of novel human Intragenic Antimicrobial Peptides, incorporation and release studies from ureasil-polyether hybrid matrix
Materials Science and Engineering C, Materials for Biological Applications, 119, 2020
4ZSM
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BU of 4zsm by Molmil
BACE crystal structure with bicyclic aminothiazine fragment
分子名称: (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZYK
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BU of 4zyk by Molmil
Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AM14 Fab heavy chain, ...
著者Gilman, M.S.A, McLellan, J.S.
登録日2015-05-21
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
5AAC
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BU of 5aac by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
6P7G
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BU of 6p7g by Molmil
The co-crystal structure of BRAF(V600E) with PHI1
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf
著者Agianian, B, Gavathiotis, E.
登録日2019-06-05
公開日2020-09-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
4ZSQ
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BU of 4zsq by Molmil
BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
5AG8
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CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB
分子名称: GINGIPAIN R2, GLYCEROL, SULFATE ION
著者de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
登録日2015-01-29
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016

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