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5K0M
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BU of 5k0m by Molmil
Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED
分子名称: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C.
登録日2016-05-17
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
4I5S
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BU of 4i5s by Molmil
Structure and function of sensor histidine kinase
分子名称: Putative histidine kinase CovS; VicK-like protein
著者Cai, Y.
登録日2012-11-28
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains
Plos Biol., 11, 2013
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
分子名称: Regulatory protein NPR1, ZINC ION
著者Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
登録日2021-04-21
公開日2022-03-16
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
分子名称: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
著者Cheng, J, Zhou, P.
登録日2021-12-20
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
3MZI
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BU of 3mzi by Molmil
Crystallographic structure of the pseudo-Signaling State of the BLUF Photoreceptor PixD (slr1694) Y8F mutant
分子名称: Activator of photopigment and puc expression, FLAVIN MONONUCLEOTIDE
著者Yuan, H, Bauer, C.E.
登録日2010-05-12
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Mutational and Structural Studies of the PixD BLUF Output Signal That Affects Light-Regulated Interactions with PixE.
Biochemistry, 50, 2011
6NM3
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BU of 6nm3 by Molmil
NMR structure of WW295
分子名称: WW295 peptide
著者Wang, G, Zarena, D.
登録日2019-01-10
公開日2020-07-15
最終更新日2020-09-09
実験手法SOLUTION NMR
主引用文献Two distinct amphipathic peptide antibiotics with systemic efficacy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NM4
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BU of 6nm4 by Molmil
Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor
分子名称: 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ...
著者Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-01-10
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
7BPC
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BU of 7bpc by Molmil
Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA
分子名称: 2,3-dihydroxybenzoate decarboxylase, 2,5-dihydroxybenzoic acid, ZINC ION
著者Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2020-03-22
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020
7BP1
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BU of 7bp1 by Molmil
Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with Catechol
分子名称: 2,3-dihydroxybenzoate decarboxylase, CATECHOL, ZINC ION
著者Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2020-03-21
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020
5D23
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BU of 5d23 by Molmil
The crystal structure of STPR from Bombyx mori in complex with 13-bp DNA derived from the +290 site of fibroin gene
分子名称: DNA (26-MER), Fibroin-modulator-binding protein-1
著者Cheng, W.
登録日2015-08-05
公開日2016-03-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of an all-alpha protein running along the DNA major groove.
Nucleic Acids Res., 2016
5D2S
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BU of 5d2s by Molmil
Crystal structure of STPR from Bombyx mori in complex with 18-bp DNA containing four repetitive units of ATAC
分子名称: DNA (36-MER), Fibroin-modulator-binding protein-1
著者Cheng, W.
登録日2015-08-06
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of an all-alpha protein running along the DNA major groove.
Nucleic Acids Res., 2016
5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5D2Q
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BU of 5d2q by Molmil
Crystal structure of STPR from Bombyx Mori in complex with 20-bp DNA derived from +290 site of the fibroin gene
分子名称: DNA (40-MER), Fibroin-modulator-binding protein-1
著者Cheng, W.
登録日2015-08-06
公開日2016-03-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of an all-alpha protein running along the DNA major groove.
Nucleic Acids Res., 2016
5DRP
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BU of 5drp by Molmil
Structure of the AaLpxC/LPC-023 Complex
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ...
著者Najeeb, J, Lee, C.-J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
分子名称: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
著者Kurinov, I, Malakhova, M.
登録日2015-05-20
公開日2016-05-25
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
7EQL
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BU of 7eql by Molmil
Crystal structure of (+)-pulegone reductase from Mentha piperita
分子名称: (+)-pulegone reductase
著者Lin, W.
登録日2021-05-03
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis.
Front Plant Sci, 12, 2021
4YNL
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BU of 4ynl by Molmil
Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS
分子名称: Heterocyst differentiation control protein, Heterocyst inhibition-signaling peptide
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
登録日2015-03-10
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
4YRV
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BU of 4yrv by Molmil
Crystal structure of Anabaena transcription factor HetR complexed with 21-bp DNA from hetP promoter
分子名称: CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ...
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
登録日2015-03-16
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
4WWI
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BU of 4wwi by Molmil
Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
分子名称: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
著者Deis, L.N, Oas, T.G.
登録日2014-11-11
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZMD
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BU of 4zmd by Molmil
C domain of staphylococcal protein A mutant - Q9W
分子名称: Immunoglobulin G-binding protein A
著者Deis, L.N, Oas, T.G.
登録日2015-05-03
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZNC
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BU of 4znc by Molmil
Fc fragment of human IgG in complex with the C domain of staphylococcal protein A mutant - Q9W
分子名称: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
著者Deis, L.N, Oas, T.G.
登録日2015-05-04
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
分子名称: GLYCEROL, alpha/beta hydrolase
著者Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
登録日2022-10-24
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
8HQP
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BU of 8hqp by Molmil
Crystal structure of AbHheG mutant from Acidimicrobiia bacterium
分子名称: AbHheG_m
著者Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
登録日2022-12-13
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023

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