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PDB: 89035 件

6PHO
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BU of 6pho by Molmil
Crystal structure of glucagon analog with selenomethionine substitutions at position 1 and 27 in space group I41 at 1.42 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
7T0X
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BU of 7t0x by Molmil
Structure of the larger diameter PSMalpha3 nanotube
分子名称: Phenol-soluble modulin PSM-alpha-3
著者Kreutzberger, M.A, Wang, S, Beltran, L.C, Egelman, E.H, Conticello, V.P.
登録日2021-11-30
公開日2022-05-18
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Phenol-soluble modulins PSM alpha 3 and PSM beta 2 form nanotubes that are cross-alpha amyloids.
Proc.Natl.Acad.Sci.USA, 119, 2022
5MHO
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BU of 5mho by Molmil
FXIIIa in complex with the inhibitor ZED2369
分子名称: CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2016-11-24
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献FXIIIa in complex with the inhibitor ZED2369
To Be Published
7SSG
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BU of 7ssg by Molmil
Mfd DNA complex
分子名称: DNA (5'-D(P*TP*GP*GP*CP*GP*GP*CP*GP*AP*GP*GP*C)-3'), DNA (5'-D(P*TP*TP*GP*CP*CP*TP*CP*GP*CP*TP*GP*CP*CP*A)-3'), Transcription-repair-coupling factor
著者Oakley, A.J, Xu, Z.-Q.
登録日2021-11-11
公開日2022-05-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Mechanism of transcription modulation by the transcription-repair coupling factor.
Nucleic Acids Res., 50, 2022
7NTD
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BU of 7ntd by Molmil
The structure of the SBP TarP_Csal in complex with ferulate
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-09
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
5MID
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BU of 5mid by Molmil
The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 14-th structure of the series with total exposition time 393 min.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ...
著者Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
登録日2016-11-28
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
7AKE
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BU of 7ake by Molmil
Structure of DYRK1A in complex with compound 58
分子名称: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6MBM
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BU of 6mbm by Molmil
HS02 - Intragenic antimicrobial peptides derived from the protein unconventional myosin 1h
分子名称: Unconventional myosin-Ih peptide
著者Santos, M.A, Brand, G.D, Oliveira, A.L.
登録日2018-08-30
公開日2019-08-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intragenic antimicrobial peptides (IAPs) from human proteins with potent antimicrobial and anti-inflammatory activity.
Plos One, 14, 2019
6V2B
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BU of 6v2b by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asn
分子名称: ASPARAGINE, CITRIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6YGX
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BU of 6ygx by Molmil
tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxytetrahydro-2H-pyran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
分子名称: 6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, A, Heine, A, Klebe, G.
登録日2020-03-27
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
7AJ4
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BU of 7aj4 by Molmil
Structure of DYRK1A in complex with compound 5
分子名称: 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKH
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BU of 7akh by Molmil
Structure of DYRK2 in complex with compound 58
分子名称: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKB
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BU of 7akb by Molmil
Structure of DYRK1A in complex with compound 56
分子名称: 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
5MHZ
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BU of 5mhz by Molmil
The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 8-th structure of the series with total exposition time 213 min.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ...
著者Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
登録日2016-11-27
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
6MHS
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BU of 6mhs by Molmil
Structure of the human TRPV3 channel in a putative sensitized conformation
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Zubcevic, L, Herzik, M.A, Wu, M, Borschel, W.F, Hirschi, M, Song, A, Lander, G.C, Lee, S.Y.
登録日2018-09-18
公開日2018-10-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational ensemble of the human TRPV3 ion channel.
Nat Commun, 9, 2018
7AJY
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BU of 7ajy by Molmil
Structure of DYRK1A in complex with compound 51
分子名称: 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
5MIA
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BU of 5mia by Molmil
The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 11-th structure of the series with total exposition time 303 min.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ...
著者Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
登録日2016-11-28
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
7AKL
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BU of 7akl by Molmil
Structure of DYRK1A in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ2
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BU of 7aj2 by Molmil
Structure of DYRK1A in complex with compound 3
分子名称: 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ8
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BU of 7aj8 by Molmil
Structure of DYRK1A in complex with compound 25
分子名称: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
4XZN
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BU of 4xzn by Molmil
Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
7AKF
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BU of 7akf by Molmil
Structure of DYRK2 in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6VFK
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BU of 6vfk by Molmil
De novo designed tetrahedral nanoparticle T33_dn10 displaying 4 copies of BG505-SOSIP trimer on the surface
分子名称: BG505-SOSIP-T33_dn10A, T33_dn10B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-07-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Structural and functional evaluation of de novo-designed, two-component nanoparticle carriers for HIV Env trimer immunogens.
Plos Pathog., 16, 2020
6SKF
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BU of 6skf by Molmil
Cryo-EM Structure of T. kodakarensis 70S ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M.
登録日2019-08-15
公開日2020-07-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
6MGT
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BU of 6mgt by Molmil
Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Mutant H110A
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
著者Yang, Y, Daivs, I, Matsui, T, Rubalcava, I, Liu, A.
登録日2018-09-14
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity.
J.Biol.Chem., 294, 2019

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件を2024-09-04に公開中

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