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5JGC
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BU of 5jgc by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A, L130A, L179A and I195A mutant
分子名称: Protein TPR1, ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-20
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5JA5
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BU of 5ja5 by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-12
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5U2N
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BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
分子名称: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
分子名称: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
6UAI
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BU of 6uai by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UAO
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BU of 6uao by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
分子名称: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
著者Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6U9L
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BU of 6u9l by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM
分子名称: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-09
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
8BAL
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BU of 8bal by Molmil
Niako3494, a bacterial protein structure in glycoside hydrolase family 20
分子名称: Beta-N-acetylhexosaminidase, ZINC ION
著者Dong, M.D, Roth, C.R, Jin, Y.J.
登録日2022-10-11
公開日2023-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
8BBL
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BU of 8bbl by Molmil
SGL a GH20 family sulfoglycosidase
分子名称: Beta-N-acetylhexosaminidase
著者Dong, M.D, Roth, C.R, Jin, Y.J.
登録日2022-10-13
公開日2023-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
3FV8
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BU of 3fv8 by Molmil
JNK3 bound to piperazine amide inhibitor, SR2774.
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10
著者Habel, J.E.
登録日2009-01-15
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6L8I
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BU of 6l8i by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L8H
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BU of 6l8h by Molmil
Crystal structure of CYP97C1
分子名称: Carotene epsilon-monooxygenase, chloroplastic, GLYCEROL, ...
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
4RDD
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BU of 4rdd by Molmil
Co-crystal structure of SHP2 in complex with a Cefsulodin derivative
分子名称: 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.Y, Yu, Z.H, He, R, Zhang, R.Y.
登録日2014-09-18
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
ACS Med Chem Lett, 6, 2015
6BD4
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BU of 6bd4 by Molmil
Crystal structure of human apo-Frizzled4 receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Frizzled-4/Rubredoxin chimeric protein, OLEIC ACID, ...
著者Yang, S, Wu, Y, Pu, M, Chen, Y, Dong, S, Guo, Y, Han, G.Y, Stevens, R.C, Zhao, S, Xu, F.
登録日2017-10-21
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the Frizzled 4 receptor in a ligand-free state.
Nature, 560, 2018
6IUG
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BU of 6iug by Molmil
Cryo-EM structure of the plant actin filaments from Zea mays pollen
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, pollen F-actin
著者Ren, Z.H, Zhang, Y, Zhang, Y, He, Y.Q, Du, P.Z, Wang, Z.X, Sun, F, Ren, H.Y.
登録日2018-11-28
公開日2019-11-06
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM Structure of Actin Filaments fromZea maysPollen.
Plant Cell, 31, 2019
3NTU
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BU of 3ntu by Molmil
RADA RECOMBINASE D302K MUTANT IN COMPLEX with AMP-PNP
分子名称: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Luo, Y.
登録日2010-07-05
公開日2011-07-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献RAD51 protein ATP cap regulates nucleoprotein filament stability.
J.Biol.Chem., 287, 2012
7LKI
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BU of 7lki by Molmil
The crystal structure of Epitope III of HCV envelop protein E2 in complex with antibody 1H8
分子名称: Epitope III peptide GLY-ALA-PRO-THR-TYR-SER-TRP-GLY, antibody 1H8 heavy chain, antibody 1H8 light chain
著者Deng, L, Zhang, P.
登録日2021-02-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A conserved epitope III on hepatitis C virus E2 protein has alternate conformations facilitating cell binding or virus neutralization.
Proc.Natl.Acad.Sci.USA, 118, 2021
8GXF
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BU of 8gxf by Molmil
Pseudomonas flexibilis GCN5 family acetyltransferase
分子名称: COENZYME A, GCN5 family acetyltransferase
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
6LTK
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BU of 6ltk by Molmil
HSP90 in complex with SNX-2112
分子名称: 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha
著者Cao, H.L.
登録日2020-01-22
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112.
Front Cell Dev Biol, 9, 2021
4N9L
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BU of 4n9l by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-21
公開日2014-09-10
最終更新日2022-02-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N9K
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BU of 4n9k by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-21
公開日2014-09-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N92
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BU of 4n92 by Molmil
Crystal structure of beta-lactamse PenP_E166S
分子名称: Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-19
公開日2014-09-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
5GHY
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BU of 5ghy by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2016-06-21
公開日2017-01-25
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
5GHZ
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BU of 5ghz by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2016-06-21
公開日2017-01-25
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017

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