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8GOD
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BU of 8god by Molmil
Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589
Descriptor: Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone
Authors:Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N.
Deposit date:2022-08-24
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
6RTI
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BU of 6rti by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g
Descriptor: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Kolenko, P, Barinka, C.
Deposit date:2019-05-24
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer.
Nucleic Acids Res., 48, 2020
1PVD
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BU of 1pvd by Molmil
CRYSTAL STRUCTURE OF THE THIAMIN DIPHOSPHATE DEPENDENT ENZYME PYRUVATE DECARBOXYLASE FROM THE YEAST SACCHAROMYCES CEREVISIAE AT 2.3 ANGSTROMS RESOLUTION
Descriptor: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P.
Deposit date:1995-04-20
Release date:1995-07-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the thiamin diphosphate-dependent enzyme pyruvate decarboxylase from the yeast Saccharomyces cerevisiae at 2.3 A resolution.
J.Mol.Biol., 256, 1996
5YGU
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BU of 5ygu by Molmil
Crystal structure of Escherichia coli (strain K12) mRNA Decapping Complex RppH-DapF
Descriptor: Diaminopimelate epimerase, IODIDE ION, L(+)-TARTARIC ACID, ...
Authors:Wang, Q, Guan, Z.Y, Zhang, D.L, Zou, T.T, Yin, P.
Deposit date:2017-09-27
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:DapF stabilizes the substrate-favoring conformation of RppH to stimulate its RNA-pyrophosphohydrolase activity in Escherichia coli.
Nucleic Acids Res., 46, 2018
6CF7
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BU of 6cf7 by Molmil
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6TZS
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BU of 6tzs by Molmil
A DNA i-motif/duplex hybrid
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*(CBR)P*AP*A)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
6TZQ
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BU of 6tzq by Molmil
A DNA G-quadruplex/i-motif hybrid
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*CP*AP*A)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
6TZR
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BU of 6tzr by Molmil
A DNA G-quadruplex/i-motif hybrid
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*(BRU)P*GP*CP*AP*A)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
4JBA
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BU of 4jba by Molmil
Crystal Structure of the Oxidized Form of MarR from E.coli
Descriptor: Multiple antibiotic resistance protein MarR
Authors:Lou, H, Zhu, R, Hao, Z.
Deposit date:2013-02-19
Release date:2013-10-16
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
7VRD
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BU of 7vrd by Molmil
Crystal structure of Enolase1 from Candida albicans complexed with 2'-phosphoglyceric acid sodium
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase 1, MAGNESIUM ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-10-22
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
7V67
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BU of 7v67 by Molmil
Crystal Structure of Enolase1 from Candida albicans
Descriptor: Enolase 1, SULFATE ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-08-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
1NES
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BU of 1nes by Molmil
STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION
Descriptor: ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ...
Authors:Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G.
Deposit date:1995-07-31
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution.
J.Mol.Biol., 189, 1986
3VOD
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BU of 3vod by Molmil
Crystal Structure of mutant MarR C80S from E.coli
Descriptor: Multiple antibiotic resistance protein marR
Authors:Lou, H, Zhu, R, Hao, Z.
Deposit date:2012-01-21
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
6J2I
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BU of 6j2i by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with H17N10 influenza-like virus-derivrd peptide H17N10-NP
Descriptor: Beta-2-microglobulin, H17N10-NP, Ptal-N*01:01
Authors:Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
Deposit date:2019-01-01
Release date:2019-09-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
5GSN
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BU of 5gsn by Molmil
Tmm in complex with methimazole
Descriptor: 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, ...
Authors:Zhang, Y.Z, Li, C.Y.
Deposit date:2016-08-16
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
6J2J
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BU of 6j2j by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3
Descriptor: Beta-2-microglobulin, MERS-CoV-S3, Ptal-N*01:01
Authors:Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
Deposit date:2019-01-01
Release date:2019-09-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
8S9G
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BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-03-28
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
7UCX
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BU of 7ucx by Molmil
LRP8 11H1 Fab complexed to a cyclized CR1 peptide
Descriptor: 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ...
Authors:Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A.
Deposit date:2022-03-17
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
5IQ1
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BU of 5iq1 by Molmil
Crystal structure of RnTmm mutant Y207S
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2016-03-10
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
5XKY
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BU of 5xky by Molmil
Crystal structure of DddY Se derivative
Descriptor: Uncharacterized protein, ZINC ION
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2017-05-10
Release date:2017-11-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
5XN6
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BU of 5xn6 by Molmil
Heterodimer crystal structure of geranylgeranyl diphosphate synthases 1 with GGPPS Recruiting Protein(OsGRP) from Oryza sativa
Descriptor: Os02g0668100 protein, Os07g0580900 protein
Authors:Wang, C, Zhou, F, Lu, S, Zhang, P.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:A recruiting protein of geranylgeranyl diphosphate synthase controls metabolic flux toward chlorophyll biosynthesis in rice
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
Deposit date:2016-09-12
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
5XN5
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BU of 5xn5 by Molmil
Homo-dimer crystal structure of geranylgeranyl diphosphate synthases 1 from Oryza sativa
Descriptor: Os07g0580900 protein
Authors:Wang, C, Zhou, F, Lu, S, Zhang, P.
Deposit date:2017-05-18
Release date:2017-06-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:A recruiting protein of geranylgeranyl diphosphate synthase controls metabolic flux toward chlorophyll biosynthesis in rice
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7RT7
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BU of 7rt7 by Molmil
Crystal structure of the RhsP2 C-terminal toxin domain in complex with its immunity protein, RhsI2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhsI2, RhsP2
Authors:Bullen, N.P, Prehna, G, Whitney, J.C.
Deposit date:2021-08-12
Release date:2022-08-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs.
Mol.Cell, 82, 2022
5XKX
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BU of 5xkx by Molmil
Crystal structure of WT DddY
Descriptor: ACETATE ION, Uncharacterized protein, ZINC ION
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2017-05-10
Release date:2017-11-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017

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