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4R04
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BU of 4r04 by Molmil
Clostridium difficile Toxin A (TcdA)
Descriptor: Toxin A, ZINC ION
Authors:Lacy, D.B, Spiller, B.W, Rutherford, S.A.
Deposit date:2014-07-29
Release date:2016-01-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Glucosyl Transferase Structure
Nat Microbiol, 2016
8T8R
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BU of 8t8r by Molmil
Sortilin-PGRN peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ...
Authors:Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
Deposit date:2023-06-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural studies of Sortilin-PGRN peptide complex
To Be Published
8T8S
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BU of 8t8s by Molmil
Sortilin-PGRN peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ...
Authors:Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
Deposit date:2023-06-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural studies of Sortilin-PGRN peptide complex
To Be Published
6ZAB
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BU of 6zab by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group)
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Naretto, A, Vigouroux, A, Legrand, P.
Deposit date:2020-06-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
7LYS
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BU of 7lys by Molmil
Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA and DNA
Descriptor: CasPhi-2, NTS-DNA, TS-DNA, ...
Authors:Pausch, P, Soczek, K, Nogales, E, Doudna, J.
Deposit date:2021-03-08
Release date:2021-08-04
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
7LYT
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BU of 7lyt by Molmil
Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA and Phosphorothioate-DNA
Descriptor: CasPhi, MAGNESIUM ION, NTS-DNA*, ...
Authors:Pausch, P, Soczek, K, Nogales, E, Doudna, J.
Deposit date:2021-03-08
Release date:2021-08-04
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
6Z74
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BU of 6z74 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, V.
Deposit date:2020-05-29
Release date:2020-12-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6ZA7
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BU of 6za7 by Molmil
Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
Descriptor: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
Deposit date:2024-02-07
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
2C4N
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BU of 2c4n by Molmil
NagD from E.coli K-12 strain
Descriptor: MAGNESIUM ION, PHOSPHATE ION, PROTEIN NAGD
Authors:Tremblay, L.W, Dunaway-Mariano, D, Allen, K.
Deposit date:2005-10-20
Release date:2006-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Activity Analyses of Escherichia Coli K-12 Nagd Provide Insight Into the Evolution of Biochemical Function in the Haloalkanoic Acid Dehalogenase Superfamily
Biochemistry, 45, 2006
5ZBE
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BU of 5zbe by Molmil
Crystal structure of AerE from Microcystis aeruginosa
Descriptor: Cupin domain protein, FE (II) ION, TRIETHYLENE GLYCOL
Authors:Qiu, X.
Deposit date:2018-02-11
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional insights into the role of a cupin superfamily isomerase in the biosynthesis of Choi moiety of aeruginosin.
J. Struct. Biol., 205, 2019
6XIG
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BU of 6xig by Molmil
X-ray crystal structure of MqnE from Pedobacter heparinus
Descriptor: Aminodeoxyfutalosine synthase, D(-)-TARTARIC ACID, IRON/SULFUR CLUSTER
Authors:Grove, T.L, Bonanno, J.B, Almo, S.C.
Deposit date:2020-06-19
Release date:2020-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Biochemistry, 59, 2020
6XQE
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BU of 6xqe by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UAA-mRNA, and deacylated P-site tRNA at 3.00A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S.
Deposit date:2020-07-09
Release date:2020-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
4TKO
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BU of 4tko by Molmil
Structure of the periplasmic adaptor protein EmrA
Descriptor: EmrA, ISOPROPYL ALCOHOL, MAGNESIUM ION
Authors:Hinchliffe, P, Greene, N.P, Paterson, N.G, Crow, A, Hughes, C, Koronakis, V.
Deposit date:2014-05-27
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the periplasmic adaptor protein from a major facilitator superfamily (MFS) multidrug efflux pump.
Febs Lett., 588, 2014
6XQD
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BU of 6xqd by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UUC-mRNA, and deacylated P-site tRNA at 2.80A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S.
Deposit date:2020-07-09
Release date:2020-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
3DUG
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BU of 3dug by Molmil
Crystal structure of zn-dependent arginine carboxypeptidase complexed with zinc
Descriptor: ARGININE, GLYCEROL, ZINC ION, ...
Authors:Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Freeman, J, Iizuka, M, Bain, K, Rodgers, L, Raushel, F, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-07-17
Release date:2008-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Functional identification of incorrectly annotated prolidases from the amidohydrolase superfamily of enzymes.
Biochemistry, 48, 2009
5ZBF
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BU of 5zbf by Molmil
Crystal structure of 4-hydroxyphenylpyruvic acid bound AerE from Microcystis aeruginosa
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Cupin domain protein, FE (II) ION
Authors:Qiu, X, Zhu, W.
Deposit date:2018-02-11
Release date:2019-02-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional insights into the role of a cupin superfamily isomerase in the biosynthesis of Choi moiety of aeruginosin.
J. Struct. Biol., 205, 2019
5JI5
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BU of 5ji5 by Molmil
Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
Descriptor: 1,2-ETHANEDIOL, BuphA.10154.a.B1, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-04-21
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
to be published
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
6XI9
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BU of 6xi9 by Molmil
X-ray crystal structure of MqnE from Pedobacter heparinus in complex with aminofutalosine and methionine
Descriptor: 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine, Aminodeoxyfutalosine synthase, CHLORIDE ION, ...
Authors:Grove, T.L, Bonanno, J.B, Almo, S.C.
Deposit date:2020-06-19
Release date:2020-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Biochemistry, 59, 2020
5I20
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BU of 5i20 by Molmil
Crystal structure of protein
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, SULFATE ION, Uncharacterized protein
Authors:Ishitani, R, Nureki, O.
Deposit date:2016-02-08
Release date:2016-06-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for amino acid export by DMT superfamily transporter YddG.
Nature, 534, 2016
6Y6L
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BU of 6y6l by Molmil
Structure the ananain protease from Ananas comosus with a thiomethylated catalytic cysteine
Descriptor: Ananain, GLYCEROL, SULFATE ION
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-02-26
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6YCB
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BU of 6ycb by Molmil
Structure the ananain protease from Ananas comosus covalently bound to with the E64 inhibitor
Descriptor: Ananain, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.257 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6YCE
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BU of 6yce by Molmil
Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
3KW0
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BU of 3kw0 by Molmil
Crystal structure of Cysteine peptidase (NP_982244.1) from BACILLUS CEREUS ATCC 10987 at 2.50 A resolution
Descriptor: CHLORIDE ION, Cysteine peptidase, LYSINE
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-30
Release date:2009-12-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of Papain-Like NlpC/P60 Superfamily Enzymes with a Circularly Permuted Topology Reveals Potential Lipid Binding Sites.
Plos One, 6, 2011

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PDB entries from 2024-08-07

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