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8IY0
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BU of 8iy0 by Molmil
Structure of Acb2 complexed with cAAA
Descriptor: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-04-03
Release date:2024-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
8J8O
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BU of 8j8o by Molmil
Structure of Acb2 complexed with 2',3'-cGAMP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, cGAMP, ...
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-05-02
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
7L7B
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BU of 7l7b by Molmil
Clostridioides difficile RNAP with fidaxomicin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Boyaci, H, Campbell, E.A, Darst, S.A, Chen, J.
Deposit date:2020-12-28
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Basis of narrow-spectrum activity of fidaxomicin on Clostridioides difficile.
Nature, 604, 2022
4RZI
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BU of 4rzi by Molmil
Crystal structure of PhaB from Synechocystis sp. PCC 6803
Descriptor: 3-ketoacyl-acyl carrier protein reductase
Authors:Xue, S, Liu, Y.
Deposit date:2014-12-22
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.891 Å)
Cite:Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803.
Febs Lett., 589, 2015
4RR5
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BU of 4rr5 by Molmil
The crystal structure of Synechocystis sp. PCC 6803 Malonyl-CoA: ACP Transacylase
Descriptor: ACETATE ION, Malonyl CoA-acyl carrier protein transacylase
Authors:Liu, Y.
Deposit date:2014-11-06
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:Structural and biochemical characterization of MCAT from photosynthetic microorganism Synechocystis sp. PCC 6803 reveal its stepwise catalytic mechanism
Biochem.Biophys.Res.Commun., 457, 2015
4XVQ
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BU of 4xvq by Molmil
H-Ras Y137E
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2015-01-27
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding.
Faseb J., 29, 2015
5TIW
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BU of 5tiw by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Racemic Oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, BICINE, CALCIUM ION, ...
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5TA8
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BU of 5ta8 by Molmil
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor
Descriptor: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5TA6
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BU of 5ta6 by Molmil
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor.
Descriptor: 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
Authors:Hu, S.T, Han, P, Wang, H, Qi, J.X.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 2024
6EE9
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BU of 6ee9 by Molmil
Cytokine-like Peptide Stress-response Peptide-1 from Manduca Sexta
Descriptor: Stress-response Peptide-1
Authors:Schrag, L.
Deposit date:2018-08-13
Release date:2019-08-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Solution Structure and Expression Profile of Stress Response Peptide-1: A Cytokine from Manduca sexta
To be published
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
Descriptor: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Niu, Y, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
5JZV
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BU of 5jzv by Molmil
The structure of D77G hCINAP-ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase isoenzyme 6
Authors:Liu, Y, Yang, Z, Yang, Y, Cai, X, Zheng, X.
Deposit date:2016-05-17
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The ATPase hCINAP regulates 18S rRNA processing and is essential for embryogenesis and tumour growth.
Nat Commun, 7, 2016
6KXG
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BU of 6kxg by Molmil
Crystal structure of caspase-11-CARD
Descriptor: caspase-11-CARD
Authors:Liu, M.Z.Y, Jin, T.C.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Crystal structure of caspase-11 CARD provides insights into caspase-11 activation.
Cell Discov, 6, 2020
8SBG
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BU of 8sbg by Molmil
Crystal structure of B. theta tryptophanase in holo form
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-03
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-16
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SL7
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BU of 8sl7 by Molmil
Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05
Descriptor: (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-21
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
6UUY
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BU of 6uuy by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-3'-5'-DIPHOSPHATE, BICINE, ...
Authors:Taylor, A.B.
Deposit date:2019-11-01
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Molecular basis for hycanthone drug action in schistosome parasites.
Mol.Biochem.Parasitol., 236, 2020
6UUX
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BU of 6uux by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, hycanthone
Authors:Taylor, A.B.
Deposit date:2019-11-01
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for hycanthone drug action in schistosome parasites.
Mol.Biochem.Parasitol., 236, 2020
5GPP
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BU of 5gpp by Molmil
Crystal structure of zebrafish ASC PYD domain
Descriptor: ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ...
Authors:Jin, T, Li, Y.
Deposit date:2016-08-04
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
5GPQ
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BU of 5gpq by Molmil
Crystal Structure of zebrafish ASC CARD Domain
Descriptor: CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T, Li, Y.
Deposit date:2016-08-04
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
7MW8
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BU of 7mw8 by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
Descriptor: Phosphodiesterase-nucleotide pyrophosphatase, ZINC ION, pApG
Authors:Fernandez, D, Li, L, Brown, J.A.
Deposit date:2021-05-15
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
7N1S
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BU of 7n1s by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
Descriptor: Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Fernandez, D, Li, L, Brown, J.A, Carozza, J.A.
Deposit date:2021-05-28
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
4XVR
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BU of 4xvr by Molmil
H-Ras Y137F
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2015-01-27
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding.
Faseb J., 29, 2015
3GQF
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BU of 3gqf by Molmil
Structural and Biophysical Properties of the Pathogenic SOD1 Variant H46R/H48Q
Descriptor: CALCIUM ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Winkler, D.D, Schuermann, J.P, Hart, P.J.
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biophysical properties of the pathogenic SOD1 variant H46R/H48Q.
Biochemistry, 48, 2009

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