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2WIQ
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BU of 2wiq by Molmil
Fluorescent protein KillerRed in the native state
分子名称: KILLERRED, SODIUM ION, SULFATE ION
著者Carpentier, P, Violot, S, Blanchoin, L, Bourgeois, D.
登録日2009-05-15
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Phototoxicity of the Fluorescent Protein Killerred.
FEBS Lett., 583, 2009
3C0O
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BU of 3c0o by Molmil
Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3C3B
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BU of 3c3b by Molmil
Crystal Structure of human phosphoglycerate kinase bound to D-CDP
分子名称: CYTIDINE-5'-DIPHOSPHATE, PHOSPHATE ION, Phosphoglycerate kinase 1
著者Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
登録日2008-01-28
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
7A99
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BU of 7a99 by Molmil
Crystal structure of the Phe57Trp mutant of the arginine-bound form of domain 1 from TmArgBP
分子名称: ACETATE ION, ARGININE, Amino acid ABC transporter, ...
著者Balasco, N, Vitagliano, L, Smaldone, G, Ruggiero, A.
登録日2020-09-01
公開日2020-11-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Development of a Protein Scaffold for Arginine Sensing Generated through the Dissection of the Arginine-Binding Protein from Thermotoga maritima .
Int J Mol Sci, 21, 2020
7AAH
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BU of 7aah by Molmil
Structure of human pERp1
分子名称: CITRIC ACID, Marginal zone B- and B1-cell-specific protein
著者Sowa, S.T, Moilanen, A, Biterova, E, Saaranen, M.J, Lehtio, L, Ruddock, L.W.
登録日2020-09-04
公開日2021-01-27
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution Crystal Structure of Human pERp1, A Saposin-like Protein Involved in IgA, IgM and Integrin Maturation in the Endoplasmic Reticulum.
J.Mol.Biol., 433, 2021
2XX8
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BU of 2xx8 by Molmil
Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
分子名称: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
著者Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
登録日2010-11-09
公開日2011-04-27
最終更新日2011-09-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XXL
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BU of 2xxl by Molmil
Crystal structure of drosophila Grass clip serine protease of Toll pathway
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GRAM-POSITIVE SPECIFIC SERINE PROTEASE, ...
著者Kellenberger, C, Leone, P, Coquet, L, Jouenne, T, Reichhart, J.M, Roussel, A.
登録日2010-11-10
公開日2011-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Function Analysis of Grass Clip Serine Protease Involved in Drosophila Toll Pathway Activation.
J.Biol.Chem., 286, 2011
2XSW
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BU of 2xsw by Molmil
Crystal structure of human INPP5E
分子名称: 72 KDA INOSITOL POLYPHOSPHATE 5-PHOSPHATASE, CHLORIDE ION, GLYCEROL
著者Tresaugues, L, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P.
登録日2010-09-30
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Inpp5E
To be Published
3C0M
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BU of 3c0m by Molmil
Crystal structure of the proaerolysin mutant Y221G
分子名称: Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3BTU
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BU of 3btu by Molmil
Crystal structure of the super-repressor mutant of Gal80p from Saccharomyces cerevisiae; Gal80(S2) [E351K]
分子名称: Galactose/lactose metabolism regulatory protein GAL80
著者Kumar, P.R, Joshua-Tor, L.
登録日2007-12-30
公開日2008-03-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献NADP regulates the yeast GAL induction system.
Science, 319, 2008
2XTT
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BU of 2xtt by Molmil
Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02)
分子名称: ACETATE ION, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Wahlgren, W.Y, Pal, G, Kardos, J, Porrogi, P, Szenthe, B, Patthy, A, Graf, L, Katona, G.
登録日2010-10-12
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease action.
J.Biol.Chem., 286, 2011
7A4N
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BU of 7a4n by Molmil
Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(S-closed trimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
著者Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M.
登録日2020-08-20
公開日2020-11-04
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Stabilizing the closed SARS-CoV-2 spike trimer.
Nat Commun, 12, 2021
3C6D
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BU of 3c6d by Molmil
The pseudo-atomic structure of dengue immature virus
分子名称: Polyprotein, prM
著者Li, L.
登録日2008-02-04
公開日2008-04-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12.5 Å)
主引用文献The flavivirus precursor membrane-envelope protein complex: structure and maturation
Science, 319, 2008
2Y1W
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BU of 2y1w by Molmil
CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称: 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN
著者Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
3C0B
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BU of 3c0b by Molmil
Crystal structure of the conserved archaeal protein Q6M145. Northeast Structural Genomics Consortium target MrR63
分子名称: CALCIUM ION, Conserved archaeal protein Q6M145
著者Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-19
公開日2008-02-26
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray structure of the conserved archaeal protein Q6M145.
To be Published
6ZNZ
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BU of 6znz by Molmil
1.89 A resolution 4-methylcatechol (4-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2020-07-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
3BLX
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BU of 3blx by Molmil
Yeast Isocitrate Dehydrogenase (Apo Form)
分子名称: Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
著者Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
登録日2007-12-11
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
6ZO3
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BU of 6zo3 by Molmil
1.55 A resolution 3,6-dimethylcatechol (3,6-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2020-07-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZQU
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BU of 6zqu by Molmil
Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
著者Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
登録日2020-07-10
公開日2021-01-20
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
3C3A
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BU of 3c3a by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-ADP
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
登録日2008-01-28
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
2Y7P
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BU of 2y7p by Molmil
DntR Inducer Binding Domain in Complex with Salicylate. Trigonal crystal form
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN
著者Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C.
登録日2011-02-01
公開日2011-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
2Y6H
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BU of 2y6h by Molmil
X-2 L110F CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
分子名称: CALCIUM ION, XYLANASE
著者von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
登録日2011-01-21
公開日2012-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
2YER
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BU of 2yer by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
登録日2011-03-30
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2Y7K
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DntR Inducer Binding Domain in Complex with Salicylate. Monoclinic crystal form
分子名称: 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN
著者Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C.
登録日2011-01-31
公開日2011-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
3SKO
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Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8
分子名称: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
著者Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
登録日2011-06-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012

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