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Crystal structure of inorganic pyrophosphatase from Staphylococcus aureus in complex with Mn2+
Descriptor:	MANGANESE (II) ION, Probable manganese-dependent inorganic pyrophosphatase
Authors:	Gajadeera, C.S, Tsodikov, O.V.
Deposit date:	2014-10-30
Release date:	2015-01-21
Last modified:	2023-12-06
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Structure of inorganic pyrophosphatase from Staphylococcus aureus reveals conformational flexibility of the active site. J.Struct.Biol., 189, 2015

4FZ6

Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine
Descriptor:	N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK
Authors:	Kuglstatter, A, Slade, M.
Deposit date:	2012-07-06
Release date:	2013-01-30
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem., 55, 2012

5DEP

Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc
Descriptor:	Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:	Smith, E.W, Chen, Y.
Deposit date:	2015-08-25
Release date:	2015-09-16
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.16 Å)
Cite:	Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015

8GUE

Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor:	1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
Authors:	Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:	2022-09-11
Release date:	2023-02-15
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023

7L4X

YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by two six-bp DNA duplexes in P3221 Crystal
Descriptor:	1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA w/N6A
Authors:	Horton, J.R, Cheng, X.
Deposit date:	2020-12-21
Release date:	2021-11-03
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions. Nucleic Acids Res., 49, 2021

7L4Y

YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by Two Six-bp DNA Duplexes in P212121 Crystal
Descriptor:	1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA 13mer
Authors:	Horton, J.R, Cheng, X.
Deposit date:	2020-12-21
Release date:	2021-11-03
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions. Nucleic Acids Res., 49, 2021

7L4V

C-terminal bZIP domain of human C/EBPbeta Bound to DNA with Consensus Recognition with GT Mismatch
Descriptor:	1,2-ETHANEDIOL, CCAAT/enhancer-binding protein beta, DNA Strand 1, ...
Authors:	Horton, J.R, Cheng, X.
Deposit date:	2020-12-21
Release date:	2021-11-03
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Preferential CEBP binding to T:G mismatches and increased C-to-T human somatic mutations. Nucleic Acids Res., 49, 2021

4FYN

Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
Descriptor:	3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
Authors:	Kuglstatter, A, Villasenor, A.G.
Deposit date:	2012-07-05
Release date:	2013-01-30
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (2.318 Å)
Cite:	Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem., 55, 2012

5DG3

Structure of Pseudomonas aeruginosa LpxA in complex with UDP-3-O-(R-3-hydroxydecanoyl)-GlcNAc
Descriptor:	Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine
Authors:	Smith, E.W, Chen, Y.
Deposit date:	2015-08-27
Release date:	2015-09-16
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015

5LBV

Structural basis of zika and dengue virus potent antibody cross-neutralization
Descriptor:	SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E
Authors:	Barba-Spaeth, G.
Deposit date:	2016-06-17
Release date:	2016-07-06
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature, 536, 2016

8HWT

SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
Descriptor:	BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
Authors:	He, Q.W, Xie, Y.
Deposit date:	2023-01-02
Release date:	2023-12-06
Method:	ELECTRON MICROSCOPY (2.91 Å)
Cite:	An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB. Cell Rep Med, 4, 2023

8HWS

The complex structure of Omicron BA.4 RBD with BD604, S309, and S304
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ...
Authors:	He, Q.W, Xu, Z.P, Xie, Y.F.
Deposit date:	2023-01-02
Release date:	2023-12-06
Method:	ELECTRON MICROSCOPY (2.36 Å)
Cite:	An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB. Cell Rep Med, 4, 2023

5HZ5

FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline
Descriptor:	6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:	Ehler, A, Rudolph, M.G.
Deposit date:	2016-02-02
Release date:	2017-01-25
Last modified:	2017-10-11
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016

5ZDZ

Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ...
Authors:	Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:	2018-02-25
Release date:	2018-04-25
Last modified:	2024-03-27
Method:	X-RAY DIFFRACTION (2.8 Å)
Cite:	Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018

7CCF

Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ
Descriptor:	(3-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:	Dong, S, Du, L, Li, S.Y, Feng, Y.G.
Deposit date:	2020-06-17
Release date:	2021-03-17
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.8 Å)
Cite:	Structural Basis for Selective Oxidation of Phosphorylated Ethylphenols by Cytochrome P450 Monooxygenase CreJ. Appl.Environ.Microbiol., 87, 2021

5ZE0

Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+
Descriptor:	1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ...
Authors:	Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:	2018-02-25
Release date:	2018-04-25
Last modified:	2024-03-27
Method:	X-RAY DIFFRACTION (2.75 Å)
Cite:	Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018

4GQ9

Chikungunya virus neutralizing antibody 9.8B Fab fragment
Descriptor:	Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain
Authors:	Sun, S, Rossmann, M.G.
Deposit date:	2012-08-22
Release date:	2013-07-10
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (2.995 Å)
Cite:	Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization. Elife, 2, 2013

5ZE2

Hairpin Complex, RAG1/2-hairpin 12RSS/23RSS complex in 5mM Mn2+ for 2 min at 4'C
Descriptor:	1,2-ETHANEDIOL, DNA (30-MER), DNA (31-MER), ...
Authors:	Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:	2018-02-25
Release date:	2018-04-25
Last modified:	2024-03-27
Method:	X-RAY DIFFRACTION (3.3 Å)
Cite:	Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018

5ZE1

Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in 2mM Mn2+ for 10 min at 4'C
Descriptor:	1,2-ETHANEDIOL, DNA, HMGB1 A-B box, ...
Authors:	Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:	2018-02-25
Release date:	2018-04-25
Last modified:	2024-03-27
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018

5HZ6

FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
Descriptor:	6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:	Ehler, A, Rudolph, M.G.
Deposit date:	2016-02-02
Release date:	2016-12-14
Last modified:	2024-05-01
Method:	X-RAY DIFFRACTION (1.14 Å)
Cite:	Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016

5G4C

Human SIRT2 catalyse short chain fatty acyl lysine
Descriptor:	CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ...
Authors:	Wang, Y.
Deposit date:	2016-05-09
Release date:	2017-05-03
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones. J. Am. Chem. Soc., 138, 2016

5HZ9

human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Descriptor:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, CHLORIDE ION, Fatty acid-binding protein, ...
Authors:	Ehler, A, Rudolph, M.G.
Deposit date:	2016-02-02
Release date:	2016-12-14
Last modified:	2024-05-01
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016

5HZ8

FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Descriptor:	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:	Ehler, A, Rudolph, M.G.
Deposit date:	2016-02-02
Release date:	2016-12-14
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.12 Å)
Cite:	Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016

7LNJ

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA
Descriptor:	DNA Strand 1, DNA Strand 2, Site-specific DNA-methyltransferase (adenine-specific)
Authors:	Horton, J.R, Cheng, X, Zhou, J.
Deposit date:	2021-02-07
Release date:	2021-05-19
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.68 Å)
Cite:	Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix. Nat Commun, 12, 2021

5X5Y

A membrane protein complex
Descriptor:	Probable ATP-binding component of ABC transporter, Uncharacterized protein
Authors:	Luo, Q, Yang, X, Huang, Y.
Deposit date:	2017-02-18
Release date:	2017-04-05
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (3.465 Å)
Cite:	Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG Nat. Struct. Mol. Biol., 24, 2017

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