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6Y6C
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TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2
著者Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A.
登録日2020-02-26
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6YMQ
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TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ...
著者Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6N78
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Structure of the human JAK1 kinase domain with compound 21
分子名称: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7A
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Structure of the human JAK1 kinase domain with compound 39
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
4JR1
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BU of 4jr1 by Molmil
Human procaspase-7 bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
6XXO
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BU of 6xxo by Molmil
Crystal structure of NB8, a nanobody targeting prostate specific membrane antigen
分子名称: NB_8
著者Shahar, A, Rosenfeld, L, Papo, N.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020
6XXP
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BU of 6xxp by Molmil
Crystal structure of NB37, a nanobody targeting prostate specific membrane antigen
分子名称: NB_37
著者Shahar, A, Rosenfeld, L, Papo, N.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020
4JDD
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BU of 4jdd by Molmil
14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface
分子名称: 14-3-3 protein sigma, Estrogen receptor Peptide, FUSICOCCIN
著者Bier, D, Ottmann, C.
登録日2013-02-25
公開日2013-05-15
最終更新日2017-06-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Interaction of 14-3-3 proteins with the estrogen receptor alpha F domain provides a drug target interface.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
8DAD
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BU of 8dad by Molmil
SARS-CoV-2 receptor binding domain in complex with AZ090 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AZ090 Fab Heavy Chain, AZ090 Fab Light Chain, ...
著者Zong, S, Wang, Z, Gaebler, C, Nussenzweig, M.
登録日2022-06-13
公開日2022-08-24
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献SARS-CoV-2 receptor binding domain in complex with AZ090 Fab
To Be Published
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-06
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
分子名称: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
著者Yang, K, Brunger, A.T.
登録日2022-05-24
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
6YO6
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BU of 6yo6 by Molmil
Structure of iC3b1
分子名称: hC3Nb1, iC3b1 alpha chain, iC3b1 beta chain
著者Jensen, R.K, Andersen, G.R.
登録日2020-04-14
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Complement Receptor 3 Forms a Compact High-Affinity Complex with iC3b.
J Immunol., 206, 2021
4MA7
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BU of 4ma7 by Molmil
Crystal structure of mouse prion protein complexed with Promazine
分子名称: Major prion protein, POM1 heavy chain, POM1 light chain, ...
著者Baral, P.K, Swayampakula, M, James, M.N.G.
登録日2013-08-15
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of prion inhibition by phenothiazine compounds.
Structure, 22, 2014
4JR2
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BU of 4jr2 by Molmil
Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J9R
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BU of 4j9r by Molmil
Human DNA polymerase eta-DNA translocated binary complex with TG mispair
分子名称: DNA (5'-D(*T*AP*CP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(P*TP*AP*CP*GP*TP*CP*AP*TP*G)-3'), DNA polymerase eta, ...
著者Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
登録日2013-02-16
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
8DIM
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BU of 8dim by Molmil
CryoEM structure of Influenza A virus A/Ohio/09/2015 hemagglutinin bound to CR6261 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR6261 Fab heavy chain, CR6261 Fab light chain, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-06-29
公開日2022-11-16
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献CryoEM structure of Influenza A virus A/Ohio/09/2015 hemagglutinin bound to CR6261 Fab
To Be Published
4J9S
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BU of 4j9s by Molmil
Human DNA polymerase eta-DNA translocated binary complex: with TA base pair
分子名称: DNA (5'-D(*T*AP*TP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*AP*TP*A)-3'), DNA polymerase eta, ...
著者Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
登録日2013-02-16
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
6O1C
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BU of 6o1c by Molmil
Alpha-L-fucosidase AlfC D200A mutant in complex with 4-nitrophenyl-a-L-fucopyranoside substrate
分子名称: 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, AlfC
著者Klontz, E.H, Sundberg, E.J.
登録日2019-02-19
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
8DIU
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BU of 8diu by Molmil
Cryo-EM structure of influenza A virus A/Bayern/7/1995 hemagglutinin bound to CR6261 Fab
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, CR6261 Fab heavy chain, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-06-29
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献CryoEM structure of influenza A virus A/Bayern/7/1995 hemagglutinin bound to CR6261 Fab
To be published
8IA8
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BU of 8ia8 by Molmil
Cryo-EM structure of C3aR-Gi-scFv16 bound with E7 peptide
分子名称: ALA-SER-LYS-LEU-GLY-LEU-ALA-ARG, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liao, Q, Chen, G, Du, Y, Ye, R.D.
登録日2023-02-08
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Cryo-EM structure of C3aR-Gi-scFv16 bound with E7 peptide
To Be Published
4L05
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BU of 4l05 by Molmil
Cu/Zn superoxide dismutase from Brucella abortus
分子名称: COPPER (I) ION, COPPER (II) ION, GLYCEROL, ...
著者Shin, D.S, Didonato, M, Pratt, A.J, Bruns, C.K, Cabelli, D.E, Kroll, J.S, Belzer, C.A, Tabatabai, L.B, Tainer, J.A, Getzoff, E.D.
登録日2013-05-30
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.098 Å)
主引用文献Structural, Functional, and Immunogenic Insights on Cu,Zn Superoxide Dismutase Pathogenic Virulence Factors from Neisseria meningitidis and Brucella abortus.
J.Bacteriol., 197, 2015
4M61
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BU of 4m61 by Molmil
Crystal structure of unliganded anti-DNA Fab A52
分子名称: Fab A52 heavy chain, Fab A52 light chain, SULFATE ION
著者Stanfield, R.L, Eilat, D, Wilson, I.A.
登録日2013-08-08
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure determination of anti-DNA Fab A52.
Proteins, 82, 2014
6XUE
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BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
分子名称: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
著者Strater, N.
登録日2020-01-19
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6O1A
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BU of 6o1a by Molmil
Alpha-L-fucosidase AlfC from Lactobacillus casei in complex with alpha-L-fucose product
分子名称: AlfC, beta-L-fucopyranose
著者Klontz, E.H, Sundberg, E.J.
登録日2019-02-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020

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