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8IIU
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BU of 8iiu by Molmil
anti-VEGF nanobody
Descriptor: SULFATE ION, anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-24
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
6J2A
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BU of 6j2a by Molmil
The structure of HLA-A*3003/NP44
Descriptor: Beta-2-microglobulin, HLA-A*3003, NP44
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1W
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BU of 6j1w by Molmil
The structure of HLA-A*3001/RT313
Descriptor: ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J29
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BU of 6j29 by Molmil
The structure of HLA-A*3003/MTB
Descriptor: Beta-2-microglobulin, HLA-A*3003, MTB
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1V
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BU of 6j1v by Molmil
The structure of HLA-A*3003/RT313
Descriptor: Beta-2-microglobulin, HLA-A*3003, RT313
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
8WR2
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BU of 8wr2 by Molmil
Crystal Structure of Human Pyridoxal Kinase with bound Luteolin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ...
Authors:Fan, J, Zhu, Y.
Deposit date:2023-10-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
6L8O
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BU of 6l8o by Molmil
Crystal structure of the K. lactis Rad5 (Hg-derivative)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
6L8N
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BU of 6l8n by Molmil
Crystal structure of the K. lactis Rad5
Descriptor: DNA repair protein RAD5, ZINC ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
8WUT
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BU of 8wut by Molmil
SpCas9-MMLV RT-pegRNA-target DNA complex (initiation)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (51-MER), ...
Authors:Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2023-10-21
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 2024
8YGJ
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BU of 8ygj by Molmil
SpCas9-MMLV RT-pegRNA-target DNA complex (elongation 28-nt)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (51-MER), ...
Authors:Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2024-02-26
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 2024
8WUS
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BU of 8wus by Molmil
SpCas9-MMLV RT-pegRNA-target DNA complex (termination)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (40-MER), DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), ...
Authors:Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2023-10-21
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 2024
8WUV
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BU of 8wuv by Molmil
SpCas9-MMLV RT-pegRNA-target DNA complex (elongation 16-nt)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (50-MER), ...
Authors:Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2023-10-21
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 2024
8WUU
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BU of 8wuu by Molmil
SpCas9-pegRNA-target DNA complex (pre-initiation)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (34-MER), DNA (5'-D(*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), ...
Authors:Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2023-10-21
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 2024
8HDZ
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BU of 8hdz by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in an apo form
Descriptor: A22 DNA replication processivity factor, E4 uracil-DNA glycosylase, F8 DNA polymerase
Authors:Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C.
Deposit date:2022-11-07
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Cryo-EM structures of human monkeypox viral replication complexes with and without DNA duplex.
Cell Res., 33, 2023
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
1JLS
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BU of 1jls by Molmil
STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE URACIL/CPR 2 MUTANT C128V
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Schumacher, M.A, Bashor, C.J, Otsu, K, Zu, S, Parry, R, Ullman, B, Brennan, R.G.
Deposit date:2001-07-16
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural mechanism of GTP stabilized oligomerization and catalytic activation of the Toxoplasma gondii uracil phosphoribosyltransferase.
Proc.Natl.Acad.Sci.USA, 99, 2002
5BVD
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BU of 5bvd by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
Descriptor: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Ma, X, Steven, S.
Deposit date:2015-06-05
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BVE
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BU of 5bve by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
Descriptor: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Ma, X, Steven, S.
Deposit date:2015-06-05
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
1JLR
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BU of 1jlr by Molmil
STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE GTP COMPLEX 2 MUTANT C128V
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Uracil Phosphoribosyltransferase
Authors:Schumacher, M.A, Bashor, C.J, Otsu, K, Zu, S, Parry, R, Ulmman, B, Brennan, R.G.
Deposit date:2001-07-16
Release date:2002-01-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The structural mechanism of GTP stabilized oligomerization and catalytic activation of the Toxoplasma gondii uracil phosphoribosyltransferase.
Proc.Natl.Acad.Sci.USA, 99, 2002
6RO0
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BU of 6ro0 by Molmil
CRYSTAL STRUCTURE OF GENETICALLY DETOXIFIED PERTUSSIS TOXIN GDPT.
Descriptor: GLYCEROL, Islet-activating protein S2, Islet-activating protein S3, ...
Authors:Bertrand, T.
Deposit date:2019-05-10
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Genetically detoxified pertussis toxin displays near identical structure to its wild-type and exhibits robust immunogenicity.
Commun Biol, 3, 2020
5J8V
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BU of 5j8v by Molmil
Structure of rabbit ryanodine receptor RyR1 open state activated by calcium ion
Descriptor: Ryanodine receptor 1
Authors:Wang, X, Wei, R, Yin, C, Sun, F.
Deposit date:2016-04-08
Release date:2016-09-14
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural insights into Ca(2+)-activated long-range allosteric channel gating of RyR1
Cell Res., 26, 2016
3RO5
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BU of 3ro5 by Molmil
Crystal structure of influenza A virus nucleoprotein with ligand
Descriptor: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R.
Deposit date:2011-04-25
Release date:2011-09-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TG6
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BU of 3tg6 by Molmil
Crystal Structure of Influenza A Virus nucleoprotein with Ligand
Descriptor: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Pearce, B.C, Lewis, H.A, McDonnell, P.A, Steinbacher, S, Kiefersauer, R, Mortl, M, Maskos, K, Edavettal, S, Baldwin, E.T, Langley, D.R.
Deposit date:2011-08-17
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
6AHP
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BU of 6ahp by Molmil
Structure of the 58-167 fragment of FliL
Descriptor: Flagellar protein FliL
Authors:Takekawa, N, Isumi, M, Sakuma, M, Kojima, S, Homma, M, Imada, K.
Deposit date:2018-08-20
Release date:2019-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure ofVibrioFliL, a New Stomatin-like Protein That Assists the Bacterial Flagellar Motor Function.
MBio, 10, 2019

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