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2WIQ
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BU of 2wiq by Molmil
Fluorescent protein KillerRed in the native state
Descriptor: KILLERRED, SODIUM ION, SULFATE ION
Authors:Carpentier, P, Violot, S, Blanchoin, L, Bourgeois, D.
Deposit date:2009-05-15
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin
Authors:Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: CYTIDINE-5'-DIPHOSPHATE, PHOSPHATE ION, Phosphoglycerate kinase 1
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ACETATE ION, ARGININE, Amino acid ABC transporter, ...
Authors:Balasco, N, Vitagliano, L, Smaldone, G, Ruggiero, A.
Deposit date:2020-09-01
Release date:2020-11-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: CITRIC ACID, Marginal zone B- and B1-cell-specific protein
Authors:Sowa, S.T, Moilanen, A, Biterova, E, Saaranen, M.J, Lehtio, L, Ruddock, L.W.
Deposit date:2020-09-04
Release date:2021-01-27
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors: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.
Deposit date:2010-11-09
Release date:2011-04-27
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GRAM-POSITIVE SPECIFIC SERINE PROTEASE, ...
Authors:Kellenberger, C, Leone, P, Coquet, L, Jouenne, T, Reichhart, J.M, Roussel, A.
Deposit date:2010-11-10
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 72 KDA INOSITOL POLYPHOSPHATE 5-PHOSPHATASE, CHLORIDE ION, GLYCEROL
Authors: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.
Deposit date:2010-09-30
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite: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]
Descriptor: Galactose/lactose metabolism regulatory protein GAL80
Authors:Kumar, P.R, Joshua-Tor, L.
Deposit date:2007-12-30
Release date:2008-03-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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)
Descriptor: ACETATE ION, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Wahlgren, W.Y, Pal, G, Kardos, J, Porrogi, P, Szenthe, B, Patthy, A, Graf, L, Katona, G.
Deposit date:2010-10-12
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.93 Å)
Cite: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)
Descriptor: 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
Authors:Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M.
Deposit date:2020-08-20
Release date:2020-11-04
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite: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
Descriptor: Polyprotein, prM
Authors:Li, L.
Deposit date:2008-02-04
Release date:2008-04-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (12.5 Å)
Cite: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
Descriptor: 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN
Authors: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.
Deposit date:2010-12-10
Release date:2011-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CALCIUM ION, Conserved archaeal protein Q6M145
Authors: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)
Deposit date:2008-01-19
Release date:2008-02-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2020-07-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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)
Descriptor: Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
Authors:Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
Deposit date:2007-12-11
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2020-07-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
Authors: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.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C.
Deposit date:2011-02-01
Release date:2011-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: CALCIUM ION, XYLANASE
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-21
Release date:2012-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.08 Å)
Cite: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
Descriptor: 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, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
Deposit date:2011-03-30
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2Y7K
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BU of 2y7k by Molmil
DntR Inducer Binding Domain in Complex with Salicylate. Monoclinic crystal form
Descriptor: 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN
Authors:Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C.
Deposit date:2011-01-31
Release date:2011-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
2XBU
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BU of 2xbu by Molmil
Saccharomyces cerevisiae hypoxanthine-guanine phosphoribosyltransferase in complex with GMP (monoclinic crystal form)
Descriptor: ACETATE ION, GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Moynie, L, Giraud, M.F, Breton, A, Boissier, F, Daignan-Fornier, B, Dautant, A.
Deposit date:2010-04-15
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional Significance of Four Successive Glycine Residues in the Pyrophosphate Binding Loop of Fungal 6-Oxopurine Phosphoribosyltransferases.
Protein Sci., 21, 2012

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