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8H16
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Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Open Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.35534 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0Y
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Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-112 Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H15
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Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.14182 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8RU5
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ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E
分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2
著者Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
登録日2024-01-30
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
5L6P
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EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6)
分子名称: 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
著者Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
登録日2016-05-30
公開日2016-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
6WPM
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BU of 6wpm by Molmil
Crystal structure of a putative oligosaccharide periplasmic-binding protein from Synechococcus sp. MITs9220 in complex with zinc
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Ford, B.A, Michie, K.A, Paulsen, I.T, Mabbutt, B.C, Shah, B.S.
登録日2020-04-27
公開日2021-05-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel functional insights into a modified sugar-binding protein from Synechococcus MITS9220.
Sci Rep, 12, 2022
7Q1W
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Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
登録日2021-10-21
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
8UV1
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Structure of TDP1 complexed with compound IB01
分子名称: 1,2-ETHANEDIOL, 8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R.
登録日2023-11-02
公開日2024-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure of TDP1 complexed with compound IB01
To Be Published
1EIC
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BU of 1eic by Molmil
CRYSTAL STRUCTURE OF F120A MUTANT OF BOVINE PANCREATIC RIBONUCLEASE A
分子名称: RIBONUCLEASE A
著者Chatani, E, Hayashi, R, Moriyama, H, Ueki, T.
登録日2000-02-25
公開日2002-02-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational strictness required for maximum activity and stability of bovine pancreatic ribonuclease A as revealed by crystallographic study of three Phe120 mutants at 1.4 A resolution.
Protein Sci., 11, 2002
8UZV
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BU of 8uzv by Molmil
Structure of TDP1 catalytic domain complexed with compound IB02
分子名称: 1,2-ETHANEDIOL, 8-{[2-(fluorosulfonyl)ethyl]amino}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R.
登録日2023-11-16
公開日2024-09-25
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Structure of TDP1 catalytic domain complexed with compound IB02
To Be Published
6WXN
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BU of 6wxn by Molmil
EGFR(T790M/V948R) in complex with LN3844
分子名称: CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2020-05-11
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
8V0B
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BU of 8v0b by Molmil
Structure of TDP1 catalytic domain complexed with compound IB05
分子名称: 1,2-ETHANEDIOL, 8-{4-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R.
登録日2023-11-17
公開日2024-09-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of TDP1 complexed with inhibitors
To Be Published
6ZAY
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BU of 6zay by Molmil
Crystal structure of Atg16L in complex with GDP-bound Rab33B
分子名称: 1,2-ETHANEDIOL, Autophagy-related protein 16-1, DI(HYDROXYETHYL)ETHER, ...
著者Pantoom, S, Wu, Y.W.
登録日2020-06-06
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein.
Autophagy, 17, 2021
8ECE
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BU of 8ece by Molmil
E. coli L-asparaginase II mutant (V27T) in complex with L-Glu
分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, L-asparaginase 2
著者Strzelczyk, P, Wlodawer, A, Lubkowski, J.
登録日2022-09-01
公開日2022-11-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The E. coli L-asparaginase V27T mutant: structural and functional characterization and comparison with theoretical predictions.
Febs Lett., 596, 2022
6ZJA
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BU of 6zja by Molmil
Helicobacter pylori urease with inhibitor bound in the active site
分子名称: 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide, NICKEL (II) ION, Urease subunit alpha, ...
著者Luecke, H, Cunha, E.
登録日2020-06-28
公開日2020-12-23
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Cryo-EM structure of Helicobacter pylori urease with an inhibitor in the active site at 2.0 angstrom resolution.
Nat Commun, 12, 2021
6ZJ9
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BU of 6zj9 by Molmil
Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase
著者Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P.
登録日2020-06-28
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
8H7F
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BU of 8h7f by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA
分子名称: 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1
著者Zhu, C.J, Zhang, Z.M.
登録日2022-10-20
公開日2023-03-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45013428 Å)
主引用文献2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
6WGO
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BU of 6wgo by Molmil
The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week
分子名称: ACETATE ION, Lysozyme, SODIUM ION, ...
著者Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
登録日2020-04-06
公開日2021-10-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules.
Inorg.Chem., 60, 2021
8V6W
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Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 1
分子名称: (2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid, Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2023-12-04
公開日2024-12-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based development of IPMK kinase inhibitors.
To Be Published
4X7L
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Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4TS3
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BU of 4ts3 by Molmil
Wild type E. Coli purine nucleoside phosphorylase with 2 FMC molecules in active sites
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
著者Stefanic, Z, Bzowska, A.
登録日2014-06-18
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Sci Rep, 8, 2018
8T92
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Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-D-(1,2,3,4)-IP4
分子名称: (1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T95
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Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-(1,2,4,5)-IP4
分子名称: (1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8Y
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Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with ADP and 1,4,5-InsP3
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8VRH
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E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024

242842

件を2025-10-08に公開中

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