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6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-01-09
Release date:2020-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
3EOP
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BU of 3eop by Molmil
Crystal Structure of the DUF55 domain of human thymocyte nuclear protein 1
Descriptor: SULFATE ION, Thymocyte nuclear protein 1
Authors:Yu, F, Song, A, Xu, C, Sun, L, Li, L, Tang, L, Hu, H, He, J.
Deposit date:2008-09-29
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Determining the DUF55-domain structure of human thymocyte nuclear protein 1 from crystals partially twinned by tetartohedry
Acta Crystallogr.,Sect.D, 65, 2009
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
6PZV
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BU of 6pzv by Molmil
Crystal Structure of Bovine DNMT1 RFTS domain in complex with H3K9me3 and Ubiquitin
Descriptor: CITRATE ANION, DNA (cytosine-5)-methyltransferase 1, Histone H3.3, ...
Authors:Ren, W, Song, J.
Deposit date:2019-08-01
Release date:2020-07-15
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Direct readout of heterochromatic H3K9me3 regulates DNMT1-mediated maintenance DNA methylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
Descriptor: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P17 heavy chain, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWN
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BU of 7cwn by Molmil
P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
3BW3
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BU of 3bw3 by Molmil
Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-nitropropane dioxygenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Li, Y.H, Gao, Z.Q, Hou, H.F.
Deposit date:2008-01-08
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and site-directed mutagenesis of a nitroalkane oxidase from Streptomyces ansochromogenes
Biochem.Biophys.Res.Commun., 405, 2011
3BW2
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BU of 3bw2 by Molmil
Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-nitropropane dioxygenase, FLAVIN MONONUCLEOTIDE
Authors:Li, Y.H, Gao, Z.Q, Hou, H.F.
Deposit date:2008-01-08
Release date:2009-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and site-directed mutagenesis of a nitroalkane oxidase from Streptomyces ansochromogenes
Biochem.Biophys.Res.Commun., 405, 2011
4R29
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BU of 4r29 by Molmil
Crystal structure of bacterial cysteine methyltransferase effector NleE
Descriptor: CITRIC ACID, GLYCEROL, S-ADENOSYLMETHIONINE, ...
Authors:Yao, Q, Chen, J, Hu, L, Zhang, L, Shao, F.
Deposit date:2014-08-11
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure and Specificity of the Bacterial Cysteine Methyltransferase Effector NleE Suggests a Novel Substrate in Human DNA Repair Pathway.
Plos Pathog., 10, 2014
3GAY
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BU of 3gay by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with tagatose-1,6-biphosphate
Descriptor: 1,6-di-O-phosphono-D-tagatose, Fructose-bisphosphate aldolase, ZINC ION
Authors:Galkin, A, Herzberg, O.
Deposit date:2009-02-18
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase.
Biochemistry, 48, 2009
3GAK
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BU of 3gak by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase
Descriptor: Fructose-bisphosphate aldolase, SULFATE ION, ZINC ION
Authors:Galkin, A, Herzberg, O.
Deposit date:2009-02-17
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase.
Biochemistry, 48, 2009
3GB6
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BU of 3gb6 by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase D83A mutant in complex with fructose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-D-fructose, Fructose-bisphosphate aldolase, ZINC ION
Authors:Galkin, A, Herzberg, O.
Deposit date:2009-02-18
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase.
Biochemistry, 48, 2009
6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
7DN9
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BU of 7dn9 by Molmil
Crystal structure of Salmonella effector in complex with NAD and host co-factor ARF1
Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ding, J, Shao, F.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy.
Nat.Struct.Mol.Biol., 29, 2022
7DN8
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BU of 7dn8 by Molmil
Crystal structure of Salmonella effector SopF in complex with ARF1
Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ding, J, Shao, F.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6084 Å)
Cite:ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy.
Nat.Struct.Mol.Biol., 29, 2022
6P9M
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BU of 6p9m by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6BR5
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BU of 6br5 by Molmil
N2 neuraminidase in complex with a novel antiviral compound
Descriptor: (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M.
Deposit date:2017-11-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.0379076 Å)
Cite:A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
8HR2
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BU of 8hr2 by Molmil
Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6
Descriptor: NB1B5, NB1C6, Spike protein S1
Authors:Sun, Z.
Deposit date:2022-12-14
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes.
J.Struct.Biol., 215, 2023
6BR6
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BU of 6br6 by Molmil
N2 neuraminidase in complex with a novel antiviral compound
Descriptor: (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M.
Deposit date:2017-11-30
Release date:2018-03-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.03983879 Å)
Cite:A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
8H93
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BU of 8h93 by Molmil
Structure of dimeric mouse SCMC core complex
Descriptor: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
Authors:Chi, P, Ou, G, Han, Z, Li, J, Deng, D.
Deposit date:2022-10-24
Release date:2024-01-10
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
8H94
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BU of 8h94 by Molmil
Structure of mouse SCMC bound with KH domain of FILIA
Descriptor: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
Authors:Chi, P, Ou, G, Han, Z, Li, J, Deng, D.
Deposit date:2022-10-24
Release date:2024-01-10
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019

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PDB entries from 2024-07-17

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