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6OWK
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BU of 6owk by Molmil
Crystal structure of a Bacillus thuringiensis Cry1B.867 tryptic core variant
分子名称: Pesticidal crystal protein Cry1Be, Cry1K-like protein chimera
著者Rydel, T.J, Evdokimov, A, Beishir, S.C.
登録日2019-05-10
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
4XNR
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BU of 4xnr by Molmil
Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine
分子名称: ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch
著者Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R.
登録日2015-01-16
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6OVB
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BU of 6ovb by Molmil
Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant
分子名称: Active core crystal toxin protein 1D
著者Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C.
登録日2019-05-07
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
4FZ3
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BU of 4fz3 by Molmil
Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
著者Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H.
登録日2012-07-06
公開日2013-03-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
6U8X
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BU of 6u8x by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA
分子名称: CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.95063877 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6U8P
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BU of 6u8p by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA
分子名称: CpGpA DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Song, J.
登録日2019-09-05
公開日2020-06-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6U8V
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BU of 6u8v by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA
分子名称: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Zhang, Z.M, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6U8W
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BU of 6u8w by Molmil
Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA
分子名称: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Zhang, Z.M, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.94891548 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
8EJX
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BU of 8ejx by Molmil
Crystal structure of human cyclophilin D (CypD) with in complex with the covalently bound Ebselen inhibitor
分子名称: N-phenyl-2-selanylbenzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Lovell, S, Battaile, K.P, Yan, S.
登録日2022-09-19
公開日2023-10-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献New cyclophilin D inhibitor rescues mitochondrial and cognitive function in Alzheimer's disease.
Brain, 147, 2024
9BZ4
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BU of 9bz4 by Molmil
Crystal structure of the C2 and GAP domains of human p120RasGAP
分子名称: Ras GTPase-activating protein 1
著者Paul, M.E, Boggon, T.J.
登録日2024-05-24
公開日2025-01-22
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The C2 domain augments Ras GTPase-activating protein catalytic activity.
Proc.Natl.Acad.Sci.USA, 122, 2025
4K4A
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BU of 4k4a by Molmil
X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA
分子名称: Esterase YdiI, phenacyl coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4D
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BU of 4k4d by Molmil
X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA
分子名称: 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ...
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4B
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BU of 4k4b by Molmil
X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA
分子名称: CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4C
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BU of 4k4c by Molmil
X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA
分子名称: Proofreading thioesterase EntH, phenacyl coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K49
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BU of 4k49 by Molmil
X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA
分子名称: 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
5UL0
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BU of 5ul0 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161
分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
著者Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C.
登録日2017-01-23
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob.Agents Chemother., 63, 2019
2L8R
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BU of 2l8r by Molmil
Solution structure of human protein C6orf130 in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Uncharacterized protein C6orf130
著者Lytle, B.L, Peterson, F.C, Volkman, B.F, Center for Eukaryotic Structural Genomics (CESG)
登録日2011-01-22
公開日2011-02-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Orphan Macrodomain Protein (Human C6orf130) Is an O-Acyl-ADP-ribose Deacylase: SOLUTION STRUCTURE AND CATALYTIC PROPERTIES.
J.Biol.Chem., 286, 2011
2LGR
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BU of 2lgr by Molmil
Solution structure of human protein C6orf130, a putative macro domain
分子名称: Uncharacterized protein C6orf130
著者Volkman, B.F, Lytle, B.L, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
登録日2011-08-01
公開日2011-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Orphan Macrodomain Protein (Human C6orf130) Is an O-Acyl-ADP-ribose Deacylase: SOLUTION STRUCTURE AND CATALYTIC PROPERTIES.
J.Biol.Chem., 286, 2011
8WQO
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BU of 8wqo by Molmil
Crystal structure of BRD4-BD1 bound with DI106
分子名称: (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Xiong, B.
登録日2023-10-12
公開日2024-07-24
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Structure-Based Rational Design and Evaluation of BET-Aurora Kinase Dual-Inhibitors for Treatment of Cancers.
J.Med.Chem., 68, 2025
6IZQ
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BU of 6izq by Molmil
PRMT4 bound with a bicyclic compound
分子名称: (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1
著者Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
8SBD
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BU of 8sbd by Molmil
Cryo-EM structure of insulin amyloid-like fibril that is composed of two antiparallel protofilaments
分子名称: Insulin A chain, Insulin B chain
著者Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C.
登録日2023-04-03
公開日2023-08-30
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of insulin fibrillation.
Sci Adv, 9, 2023

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件を2025-07-09に公開中

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