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6Y6C
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BU of 6y6c by Molmil
TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2
Authors: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.
Deposit date:2020-02-26
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6YMQ
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BU of 6ymq by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ...
Authors: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.
Deposit date:2020-04-09
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
Descriptor: 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
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
Descriptor: 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
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite: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
Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.149 Å)
Cite: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
Descriptor: NB_8
Authors:Shahar, A, Rosenfeld, L, Papo, N.
Deposit date:2020-01-28
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: NB_37
Authors:Shahar, A, Rosenfeld, L, Papo, N.
Deposit date:2020-01-28
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, Estrogen receptor Peptide, FUSICOCCIN
Authors:Bier, D, Ottmann, C.
Deposit date:2013-02-25
Release date:2013-05-15
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AZ090 Fab Heavy Chain, AZ090 Fab Light Chain, ...
Authors:Zong, S, Wang, Z, Gaebler, C, Nussenzweig, M.
Deposit date:2022-06-13
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
Deposit date:2022-06-28
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite: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
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.23 Å)
Cite: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
Descriptor: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-05-24
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite: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
Descriptor: hC3Nb1, iC3b1 alpha chain, iC3b1 beta chain
Authors:Jensen, R.K, Andersen, G.R.
Deposit date:2020-04-14
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (6 Å)
Cite: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
Descriptor: Major prion protein, POM1 heavy chain, POM1 light chain, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2013-08-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR6261 Fab heavy chain, CR6261 Fab light chain, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-06-29
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, AlfC
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-02-19
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-06-29
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite: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
Descriptor: 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, ...
Authors:Liao, Q, Chen, G, Du, Y, Ye, R.D.
Deposit date:2023-02-08
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite: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
Descriptor: COPPER (I) ION, COPPER (II) ION, GLYCEROL, ...
Authors: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.
Deposit date:2013-05-30
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.098 Å)
Cite: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
Descriptor: Fab A52 heavy chain, Fab A52 light chain, SULFATE ION
Authors:Stanfield, R.L, Eilat, D, Wilson, I.A.
Deposit date:2013-08-08
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: AlfC, beta-L-fucopyranose
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-02-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020

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数据于2024-07-31公开中

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