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5U5G
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BU of 5u5g by Molmil
Psf3 in complex with NADP+ and 2-OPP
Descriptor: (2-oxopropyl)phosphonic acid, 6-phosphogluconate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Olivares, P, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
6R7M
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BU of 6r7m by Molmil
Tobacco Mosaic Virus (TMV)
Descriptor: Capsid protein
Authors:Schmidli, C, Albiez, S, Rima, L, Righetto, R, Mohammed, I, Oliva, P, Kovacik, L, Stahlberg, H, Braun, T.
Deposit date:2019-03-29
Release date:2019-07-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (1.92 Å)
Cite:Microfluidic protein isolation and sample preparation for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R70
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BU of 6r70 by Molmil
Endogeneous native human 20S proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Schmidli, C, Albiez, S, Rima, L, Righetto, R, Mohammed, I, Oliva, P, Kovacik, L, Stahlberg, H, Braun, T.
Deposit date:2019-03-28
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Microfluidic protein isolation and sample preparation for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 116, 2019
5U58
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BU of 5u58 by Molmil
Psf4 in complex with Fe2+ and (R)-2-HPP
Descriptor: (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION, [(2R)-2-hydroxypropyl]phosphonic acid
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5U57
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BU of 5u57 by Molmil
Psf4 in complex with Fe2+ and (S)-2-HPP
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5U55
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BU of 5u55 by Molmil
Psf4 in complex with Mn2+ and (S)-2-HPP
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5U5D
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BU of 5u5d by Molmil
Psf4 in complex with Mn2+ and (R)-2-HPP
Descriptor: (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION, [(2R)-2-hydroxypropyl]phosphonic acid
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
8CRC
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BU of 8crc by Molmil
Structure of human Plk1 PBD in complex with Allopole-A
Descriptor: 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, GLYCEROL, Serine/threonine-protein kinase PLK1
Authors:Kirsch, K, Park, J.E, Lee, K.S.
Deposit date:2023-03-08
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition.
Proc.Natl.Acad.Sci.USA, 120, 2023
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Authors:Strater, N.
Deposit date:2021-12-09
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-07
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6WPA
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BU of 6wpa by Molmil
Structure of AvaR1 bound to DNA half-site
Descriptor: AvaR1, PAL2-1-5'-GC
Authors:Kapoor, I, Olivares, P.J, Nair, S.K.
Deposit date:2020-04-26
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
6WP7
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BU of 6wp7 by Molmil
Avenolide Binding Autoregulator AvaR1
Descriptor: AvaR1
Authors:Kapoor, I, Olivares, P.J, Nair, S.K.
Deposit date:2020-04-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
6WP9
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BU of 6wp9 by Molmil
AvaR1 bound to Avenolide
Descriptor: (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one, AvaR1
Authors:Kapoor, I, Olivares, P.J, Nair, S.K.
Deposit date:2020-04-26
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020

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PDB entries from 2024-07-17

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