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6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-01-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XXN
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BU of 6xxn by Molmil
Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen
Descriptor: NB_7_a,b,c,f, NB_7_g, NB_7_h, ...
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 (2.65 Å)
Cite:Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020
8GY5
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BU of 8gy5 by Molmil
High-resolution structure of the cemiplimab Fab in complex with PD-1
Descriptor: Programmed cell death protein 1, heavy chain, light chain
Authors:Heo, Y.-S, Jeong, T.J.
Deposit date:2022-09-21
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:High-resolution structure of the cemiplimab Fab in complex with PD-1
To Be Published
6XJA
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BU of 6xja by Molmil
Streptococcus Pneumoniae IgA1 Protease with IgA1 substrate
Descriptor: Immunoglobulin A1 protease, Immunoglobulin alpha-1 heavy chain, Immunoglobulin alpha-1 light chain, ...
Authors:Eisenmesser, E.Z, Zheng, H.
Deposit date:2020-06-23
Release date:2021-01-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease.
Nat Commun, 11, 2020
6MG5
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BU of 6mg5 by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1
Descriptor: 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION
Authors:Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
Deposit date:2018-09-12
Release date:2019-04-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
6XJB
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BU of 6xjb by Molmil
IgA1 Protease
Descriptor: Immunoglobulin A1 protease
Authors:Eisenmesser, E.Z, Zheng, H.
Deposit date:2020-06-23
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease.
Nat Commun, 11, 2020
8CII
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BU of 8cii by Molmil
Delta-RBD complex with BA.2-07 fab, SARS1-34 fab and C1 nanobody
Descriptor: BA.2-07 fab Heavy Chain, BA.2-07 fab Light Chain, C1 nanobody, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2023-02-09
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Potent cross-reactive mAbs from BA.4/5 breakthrough infection
To Be Published
8GDO
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BU of 8gdo by Molmil
Crystal structure of DH1010 Fab
Descriptor: DH1010 Fab Heavy Chain, DH1010 Fab Light chain
Authors:Lindenberger, J, Acharya, P.
Deposit date:2023-03-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of DH1010 Fab
To Be Published
6ML6
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BU of 6ml6 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
8C0E
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BU of 8c0e by Molmil
The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase Wzz form a complex in vivo and in vitro
Descriptor: ECA polysaccharide chain length modulation protein
Authors:Weckener, M, Woodward, L.S, Clarke, B.R, Liu, H, Ward, P.N, Le Bas, A, Bhella, D, Whitfield, C, Naismith, J.H.
Deposit date:2022-12-16
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase, Wzz, from enterobacterial common antigen biosynthesis form a complex.
Open Biology, 13, 2023
6ML5
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BU of 6ml5 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
8CIM
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BU of 8cim by Molmil
BA.2-07 FAB IN COMPLEX WITH SARS-COV-2 BA.2.12.1 SPIKE GLYCOPROTEIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA.2-07 FAB HEAVY CHAIN, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2023-02-10
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Isolation of a pair of potent broadly neutralizing mAb binding to RBD and SD1 domains of SARS-CoV-2
Res Sq, 2023
6XSD
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BU of 6xsd by Molmil
Patient-derived B2GPI
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1
Authors:Klenotic, P.A, Yu, E.W.Y.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:B2-Glycoprotein I and it's role in APS
To Be Published
6XST
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BU of 6xst by Molmil
Recombinant Beta-2-Glycoprotein I with putative membrane insertion loop
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, ...
Authors:Klenotic, P.A, Yu, E.W.Y.
Deposit date:2020-07-16
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Beta-2-Glycoprotein I and it's role in APS
To Be Published
6ML4
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BU of 6ml4 by Molmil
BTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 3)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
8CML
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BU of 8cml by Molmil
Cryo-EM structure of complement C5 in complex with nanobodies UNbC5-1 and UNbC5-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ...
Authors:De la O Becerra, K.I, Gros, P.
Deposit date:2023-02-20
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Inhibition of cleavage of human complement component C5 and the R885H C5 variant by two distinct high affinity anti-C5 nanobodies.
J.Biol.Chem., 299, 2023
6ML2
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BU of 6ml2 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1)
Descriptor: DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML7
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BU of 6ml7 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-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 (1.81 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
6ML3
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BU of 6ml3 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 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 (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6N79
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BU of 6n79 by Molmil
Structure of the human JAK1 kinase domain with compound 20
Descriptor: GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-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 (2.27 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
6N7C
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BU of 6n7c by Molmil
Structure of the human JAK1 kinase domain with compound 56
Descriptor: GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-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 (1.69 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
6N0A
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BU of 6n0a by Molmil
Structure of the major pilin protein (T-18.1) from Streptococcus pyogenes serotype MGAS8232
Descriptor: CALCIUM ION, Major pilin backbone protein T-antigen
Authors:Young, P.G, Raynes, J.M, Loh, J.M, Proft, T, Baker, E.N, Moreland, N.J.
Deposit date:2018-11-06
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group AStreptococcusT Antigens Have a Highly Conserved Structure Concealed under a Heterogeneous Surface That Has Implications for Vaccine Design.
Infect.Immun., 87, 2019
8CHA
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BU of 8cha by Molmil
Fc gamma RIIa 27W/131H variant ectodomain
Descriptor: 1,2-DIMETHOXYETHANE, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 3,6,9,12,15,18-HEXAOXAICOSANE, ...
Authors:Foy, E.G, Thomsen, M, Goldman, A, Robinson, J.I.
Deposit date:2023-02-07
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fc gamma RIIa 27W/131H variant ectodomain
To Be Published

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數據於2024-07-31公開中

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