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5E6N
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Crystal structure of C. elegans LGG-2
分子名称: Protein lgg-2
著者Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W.
登録日2015-10-10
公開日2016-01-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
6KPH
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BU of 6kph by Molmil
343 K cryoEM structure of Sso-KARI in complex with Mg2+, NADH and CPD
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Chen, C.Y, Chang, Y.C, Lin, B.L, Huang, C.H, Tsai, M.D.
登録日2019-08-15
公開日2020-03-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Temperature-Resolved Cryo-EM Uncovers Structural Bases of Temperature-Dependent Enzyme Functions.
J.Am.Chem.Soc., 141, 2019
6KQO
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328 K cryoEM structure of Sso-KARI in complex with Mg2+, NADH and CPD
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Chen, C.Y, Chang, Y.C, Lin, B.L, Huang, C.H, Tsai, M.D.
登録日2019-08-18
公開日2020-03-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Temperature-Resolved Cryo-EM Uncovers Structural Bases of Temperature-Dependent Enzyme Functions.
J.Am.Chem.Soc., 141, 2019
6QAG
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BU of 6qag by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
5T98
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Crystal structure of BuGH2Awt
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5IYW
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BU of 5iyw by Molmil
Protruding domain of GII.4 human norovirus CHDC2094 in complex with 3-fucosyllactose (3FL)
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, VP1, ...
著者Singh, B.K, Hansman, G.S.
登録日2016-03-24
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural basis for GII.4 norovirus inhibition by human milk oligosaccharides.
To be published
5DRZ
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BU of 5drz by Molmil
Crystal structure of anti-HIV-1 antibody F240 Fab in complex with gp41 peptide
分子名称: Envelope glycoprotein gp160, HIV Antibody F240 Heavy Chain, HIV Antibody F240 Light Chain, ...
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2015-09-16
公開日2016-10-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Molecular basis for epitope recognition by non-neutralizing anti-gp41 antibody F240.
Sci Rep, 6, 2016
1L45
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BU of 1l45 by Molmil
CUMULATIVE SITE-DIRECTED CHARGE-CHANGE REPLACEMENTS IN BACTERIOPHAGE T4 LYSOZYME SUGGEST THAT LONG-RANGE ELECTROSTATIC INTERACTIONS CONTRIBUTE LITTLE TO PROTEIN STABILITY
分子名称: T4 LYSOZYME
著者Daopin, S, Matthews, B.W.
登録日1991-01-28
公開日1991-10-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cumulative site-directed charge-change replacements in bacteriophage T4 lysozyme suggest that long-range electrostatic interactions contribute little to protein stability.
J.Mol.Biol., 221, 1991
5DKN
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BU of 5dkn by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4225
分子名称: 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J.
登録日2015-09-03
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
7F5X
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GK domain of Drosophila P5CS filament with glutamate
分子名称: Delta-1-pyrroline-5-carboxylate synthase, GAMMA-L-GLUTAMIC ACID
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-23
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
451C
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BU of 451c by Molmil
STRUCTURE OF CYTOCHROME C551 FROM P. AERUGINOSA REFINED AT 1.6 ANGSTROMS RESOLUTION AND COMPARISON OF THE TWO REDOX FORMS
分子名称: CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE
著者Matsuura, Y, Takano, T, Dickerson, R.E.
登録日1981-07-20
公開日1981-10-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of cytochrome c551 from Pseudomonas aeruginosa refined at 1.6 A resolution and comparison of the two redox forms.
J.Mol.Biol., 156, 1982
7F5V
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Drosophila P5CS filament with glutamate, ATP, and NADPH
分子名称: Delta-1-pyrroline-5-carboxylate synthase
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-22
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
1L55
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BU of 1l55 by Molmil
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1991-05-06
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of the interaction between charged side chains and the alpha-helix dipole using designed thermostable mutants of phage T4 lysozyme.
Biochemistry, 30, 1991
9C3Y
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BU of 9c3y by Molmil
Crystal structure of biphenyl synthase from Malus domestica complexed with tetraketide-CoA mimetic
分子名称: (3R)-butane-1,3-diol, BIS3 biphenyl synthase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate
著者Re, R.N, Noel, J.P, Burkart, M.D.
登録日2024-06-02
公開日2025-05-14
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Elucidating the Iterative Elongation Mechanism in a Type III Polyketide Synthase.
J.Am.Chem.Soc., 147, 2025
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
著者Centorrino, F, Ottmann, C.
登録日2022-07-08
公開日2023-04-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
7R9V
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BU of 7r9v by Molmil
Structure of PIK3CA with covalent inhibitor 19
分子名称: N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Burke, J.E, McPhail, J.A.
登録日2021-06-29
公開日2022-04-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
7R9Y
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Structure of PIK3CA with covalent inhibitor 22
分子名称: N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Burke, J.E, McPhail, J.A.
登録日2021-06-29
公開日2022-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
7RBT
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BU of 7rbt by Molmil
cryo-EM structure of human Gastric inhibitory polypeptide receptor GIPR bound to tirzepatide
分子名称: 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-06
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
6PVZ
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E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid)
分子名称: (6-benzyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Wang, G, Heras, B.
登録日2019-07-21
公開日2019-12-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
5T9N
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Structure of rabbit RyR1 (Ca2+-only dataset, class 2)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-09
公開日2016-10-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
1L62
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BU of 1l62 by Molmil
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1991-05-06
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysis of the interaction between charged side chains and the alpha-helix dipole using designed thermostable mutants of phage T4 lysozyme.
Biochemistry, 30, 1991
5TAZ
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BU of 5taz by Molmil
Structure of rabbit RyR1 (ryanodine dataset, class 3)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
4R5E
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BU of 4r5e by Molmil
Crystal Structure of Family GH18 Chitinase from Cycas revoluta a Complex with Allosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ACETATE ION, ALLOSAMIZOLINE, ...
著者Umemoto, N, Numata, T, Ohnuma, T, Fukamizo, T.
登録日2014-08-21
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures and inhibitor binding properties of plant class V chitinases: the cycad enzyme exhibits unique structural and functional features.
Plant J., 82, 2015
3ISD
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BU of 3isd by Molmil
Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch
分子名称: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
4K1U
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Crystal structure of delta5-3-ketosteroid isomerase containing Y16F and Y32F mutations
分子名称: Steroid Delta-isomerase
著者Cha, H.J, Jang, D.S, Kim, Y.G, Hong, B.H, Woo, J.S, Choi, K.Y.
登録日2013-04-05
公開日2013-07-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rescue of deleterious mutations by the compensatory Y30F mutation in ketosteroid isomerase
Mol.Cells, 36, 2013

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