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7EF0
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BU of 7ef0 by Molmil
Crystal structure of maize SHH2 SAWADEE domain in complex with an H3K9M peptide
Descriptor: HB transcription factor, Histone H3.2, ZINC ION
Authors:Wang, Y, Du, J.
Deposit date:2021-03-20
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
7CPO
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BU of 7cpo by Molmil
Crystal Structure of Anolis carolinensis MHC I complex
Descriptor: HIS-VAL-TYR-GLY-PRO-LEU-LYS-PRO-ILE, MHC CLASS I ANTIGEN, beta2-microglobulin
Authors:Wang, Y, Qu, Z, Ma, L, Wei, X, Zhang, N, Xia, C.
Deposit date:2020-08-07
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of the MHC Class I (MHC-I) Molecule in the Green Anole Lizard Demonstrates the Unique MHC-I System in Reptiles.
J Immunol., 206, 2021
7E4P
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BU of 7e4p by Molmil
Crystal structure of tubulin in complex with Ansamitocin P3
Descriptor: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-14
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C3 Ester Side Chain Plays a Pivotal Role in the Antitumor Activity of Maytansinoids
To Be Published
7E4Y
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BU of 7e4y by Molmil
Crystal structure of tubulin in complex with L-DM4-SMe
Descriptor: (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:C3 Ester Side Chain Plays a Pivotal Role in the Antitumor Activity of Maytansinoids
To Be Published
7ENI
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BU of 7eni by Molmil
Crystal structure of cas and anti-cas protein complex
Descriptor: AcrIIA13 protein, CRISPR-associated endonuclease Cas9, PHOSPHATE ION, ...
Authors:Wang, Y, Li, X.
Deposit date:2021-04-17
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.632 Å)
Cite:Crystal structure of cas and anti-cas protein complex
To Be Published
7ENR
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BU of 7enr by Molmil
Crystal structure of cas and anti-cas protein complex
Descriptor: AcrIIA14, CRISPR-associated endonuclease Cas9, sgRNA (98-MER)
Authors:Wang, Y, Li, X.
Deposit date:2021-04-19
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.205 Å)
Cite:Crystal structure of cas and anti-cas protein complex
To Be Published
7ENH
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BU of 7enh by Molmil
Crystal structure of cas and anti-cas protein complex
Descriptor: AcrIIA14 protein, CRISPR-associated endonuclease Cas9, NICKEL (II) ION
Authors:Wang, Y, Li, X.
Deposit date:2021-04-17
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of cas and anti-cas protein complex
To Be Published
7ENM
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BU of 7enm by Molmil
Selenomethionine anti-Cas protein
Descriptor: AcrIIA14 protein
Authors:Wang, Y, Li, X.
Deposit date:2021-04-18
Release date:2022-04-20
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Selenomethionine anti-Cas protein
To Be Published
8I7Q
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BU of 8i7q by Molmil
Cobalt and Calcium coordinated Concanavalin A at pH 7.4 from Canavalia ensiformis
Descriptor: CALCIUM ION, COBALT (II) ION, Concanavalin A
Authors:Hwang, Y, Jeong, J.H, Lee, S.J.
Deposit date:2023-02-01
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Selective interactions of Co 2+ -Ca 2+ -concanavalin A with high mannose N -glycans.
Dalton Trans, 53, 2024
6J76
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BU of 6j76 by Molmil
Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP
Descriptor: Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z.
Deposit date:2019-01-17
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248.
J.Mol.Biol., 432, 2020
5Y03
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BU of 5y03 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
Descriptor: Galactoside-binding soluble lectin 13
Authors:Wang, Y, Su, J.
Deposit date:2017-07-14
Release date:2018-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138.
Sci Rep, 8, 2018
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
6J22
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BU of 6j22 by Molmil
Crystal structure of Bi-functional enzyme
Descriptor: Histidine biosynthesis bifunctional protein HisIE
Authors:Zhang, H, Shang, G, Wang, Y.
Deposit date:2018-12-30
Release date:2020-01-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
Biochem.Biophys.Res.Commun., 516, 2019
6J2L
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BU of 6j2l by Molmil
Crystal structure of Bi-functional enzyme
Descriptor: Histidine biosynthesis bifunctional protein HisIE, MAGNESIUM ION, ZINC ION
Authors:Zhang, H, Shang, G, Wang, Y.
Deposit date:2019-01-01
Release date:2020-01-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
Biochem.Biophys.Res.Commun., 516, 2019
2Z4B
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BU of 2z4b by Molmil
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
Descriptor: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta
Authors:Wang, Y.
Deposit date:2007-06-14
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
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
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
6ISO
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BU of 6iso by Molmil
Human SIRT3 Recognizing H3K4cr
Descriptor: (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ...
Authors:Wang, Y, Hao, Q.
Deposit date:2018-11-17
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
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
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
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
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
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
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
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

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