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8HJ4
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BU of 8hj4 by Molmil
CryoEM structure of an anti-CRISPR protein AcrIIC5 bound to Nme1Cas9-sgRNA complex
Descriptor: CRISPR-associated endonuclease Cas9, Phage protein, sgRNA
Authors:Wang, Y, Sun, W.
Deposit date:2022-11-22
Release date:2023-01-25
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Anti-CRISPR AcrIIC5 is a dsDNA mimic that inhibits type II-C Cas9 effectors by blocking PAM recognition.
Nucleic Acids Res., 51, 2023
8SPP
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BU of 8spp by Molmil
Crystal structure of a heme enzyme RufO in rufomycin biosynthesis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Y, Jordan, S, Li, B.
Deposit date:2023-05-03
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis.
J.Biol.Chem., 299, 2023
139D
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BU of 139d by Molmil
SOLUTION STRUCTURE OF A PARALLEL-STRANDED G-QUADRUPLEX DNA
Descriptor: DNA (5'-D(*TP*TP*GP*GP*GP*GP*T)-3')
Authors:Patel, D.J, Wang, Y.
Deposit date:1993-09-28
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a parallel-stranded G-quadruplex DNA.
J.Mol.Biol., 234, 1993
2R6Y
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BU of 2r6y by Molmil
Estrogen receptor alpha ligand-binding domain in complex with a SERM
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R6W
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BU of 2r6w by Molmil
Estrogen receptor alpha ligand-binding domain complexed to a SERM
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3ZG6
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BU of 3zg6 by Molmil
The novel de-long chain fatty acid function of human sirt6
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-6, ...
Authors:Wang, Y, Hao, Q.
Deposit date:2012-12-15
Release date:2013-04-03
Last modified:2013-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sirt6 Regulates Tnf-Alpha Secretion Through Hydrolysis of Long-Chain Fatty Acyl Lysine
Nature, 496, 2013
5K13
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BU of 5k13 by Molmil
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
Descriptor: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha
Authors:Wang, Y, Stout, S.L.
Deposit date:2016-05-17
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
5H1K
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BU of 5h1k by Molmil
Crystal structure of WD40 repeat domains of Gemin5 in complex with 13-nt U4 snRNA fragment
Descriptor: Gem-associated protein 5, U4 snRNA (5'-R(*GP*CP*AP*AP*UP*UP*UP*UP*UP*GP*AP*CP*A)-3')
Authors:Wang, Y, Jin, W, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M.
Deposit date:2016-10-10
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016
7PEM
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BU of 7pem by Molmil
Cryo-EM structure of phophorylated Drs2p-Cdc50p in a PS and ATP-bound E2P state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Timcenko, M, Wang, Y, Lyons, J.A, Nissen, P, Lindorff-Larsen, K.
Deposit date:2021-08-10
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Substrate Transport and Specificity in a Phospholipid Flippase
To Be Published
6NOD
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BU of 6nod by Molmil
Crystal structure of C. elegans PUF-8 in complex with RNA
Descriptor: PUF (Pumilio/FBF) domain-containing, RNA (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3')
Authors:Wang, Y, McCann, K.L, Qiu, C, Hall, T.M.T.
Deposit date:2019-01-16
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
5D8O
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BU of 5d8o by Molmil
1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
Descriptor: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8S
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BU of 5d8s by Molmil
2.55A resolution structure of BfrB (E85A) from Pseudomonas aeruginosa
Descriptor: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8X
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BU of 5d8x by Molmil
1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8R
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BU of 5d8r by Molmil
2.50A resolution structure of BfrB (E81A) from Pseudomonas aeruginosa
Descriptor: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8Q
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BU of 5d8q by Molmil
2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa
Descriptor: ARSENIC, Ferroxidase, MAGNESIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8P
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BU of 5d8p by Molmil
2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
1FB9
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BU of 1fb9 by Molmil
EFFECTS OF S-SULFONATION ON THE SOLUTION STRUCTURE OF SALMON CALCITONIN
Descriptor: CALCITONIN ANALOGUE
Authors:Wu, H, Mao, J, Wang, Y, Dou, H.
Deposit date:2000-07-14
Release date:2003-07-01
Last modified:2018-06-27
Method:SOLUTION NMR
Cite:Solution structure and biological activity of recombinant salmon calcitonin S-sulfonated analog
Biochem.Biophys.Res.Commun., 306, 2003
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-30
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
7ESI
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BU of 7esi by Molmil
Crystal structure of the collagenase unit of a Vibrio collagenase from Vibrio harveyi VHJR7 at 1. 8 angstrom resolution.
Descriptor: CALCIUM ION, Collagenase unit (CU), Peptide P1, ...
Authors:Cao, H.Y, Wang, Y, Peng, M, Zhang, Y.Z.
Deposit date:2021-05-11
Release date:2022-02-09
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis.
Nat Commun, 13, 2022
5YVE
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BU of 5yve by Molmil
Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide, MAGNESIUM ION, ...
Authors:Wang, Y, Hattori, M.
Deposit date:2017-11-25
Release date:2018-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Druggable negative allosteric site of P2X3 receptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3NYL
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BU of 3nyl by Molmil
The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain
Descriptor: Amyloid beta (A4) protein (Peptidase nexin-II, Alzheimer disease), isoform CRA_b
Authors:Ha, Y, Hu, J, Lee, S, Liu, X, Wang, Y.
Deposit date:2010-07-15
Release date:2011-07-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain.
Mol.Cell, 15, 2004
3I2E
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BU of 3i2e by Molmil
Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1)
Descriptor: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
Authors:Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W.
Deposit date:2009-06-29
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
3I4A
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BU of 3i4a by Molmil
Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine
Descriptor: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine
Authors:Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D.
Deposit date:2009-07-01
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009

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