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6WQ9
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BU of 6wq9 by Molmil
Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
Deposit date:2020-04-28
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
6WQ8
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BU of 6wq8 by Molmil
Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
Deposit date:2020-04-28
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
5MZU
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BU of 5mzu by Molmil
Crystal structure of the myosin chaperone UNC-45 from C. elegans (alternative conformation)
Descriptor: UNC-45
Authors:Hellerschmied, D, Gazda, L, Clausen, T.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:UFD-2 is an adaptor-assisted E3 ligase targeting unfolded proteins.
Nat Commun, 9, 2018
3L2Y
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BU of 3l2y by Molmil
The structure of C-reactive protein bound to phosphoethanolamine
Descriptor: C-reactive protein, CALCIUM ION, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
Authors:Mikolajek, H, Kolstoe, S.E, Wood, S.P, Pepys, M.B.
Deposit date:2009-12-15
Release date:2010-12-08
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand specificity in the human pentraxins, C-reactive protein and serum amyloid P component.
J.Mol.Recognit., 24, 2011
1IL5
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BU of 1il5 by Molmil
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 2,5-DIAMINO-4,6-DIHYDROXYPYRIMIDINE (DDP)
Descriptor: 2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE, RICIN A CHAIN
Authors:Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
Deposit date:2001-05-07
Release date:2002-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
4PVU
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BU of 4pvu by Molmil
Crystal structure of the complex between PPARgamma-LBD and the R enantiomer of Mbx-102 (Metaglidasen)
Descriptor: (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Piemontese, L, Lavecchia, A.
Deposit date:2014-03-18
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
1V41
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BU of 1v41 by Molmil
Crystal structure of human PNP complexed with 8-Azaguanine
Descriptor: 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Purine nucleoside phosphorylase, SULFATE ION
Authors:Dos Santos, D.M, Canduri, F, Silva, R.G, Mendes, M.A, Basso, L.A, Palma, M.S, De Azevedo Jr, W.F, Santos, D.S.
Deposit date:2003-11-08
Release date:2004-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of human PNP complexed with ligands.
Acta Crystallogr.,Sect.D, 61, 2005
3OLS
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BU of 3ols by Molmil
Crystal structure of estrogen receptor beta ligand binding domain
Descriptor: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, Rose, R, Carraz, M, Visser, A, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-26
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain.
Chembiochem, 11, 2010
2KZG
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BU of 2kzg by Molmil
A Transient and Low Populated Protein Folding Intermediate at Atomic Resolution
Descriptor: Pre-mRNA-processing factor 40 homolog A
Authors:Korzhnev, D.M, Religa, T.L, Banachewicz, W, Fersht, A.R, Kay, L.E.
Deposit date:2010-06-17
Release date:2010-09-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A transient and low-populated protein-folding intermediate at atomic resolution.
Science, 329, 2010
5YSD
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BU of 5ysd by Molmil
Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotriose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ...
Authors:Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S.
Deposit date:2017-11-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
8FUG
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BU of 8fug by Molmil
Alzheimer's disease paired-helical filament in complex with PET tracer GTP-1
Descriptor: (5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole, Microtubule-associated protein tau
Authors:Merz, G.E, Tse, E, Southworth, D.R.
Deposit date:2023-01-17
Release date:2023-06-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Stacked binding of a PET ligand to Alzheimer's tau paired helical filaments.
Nat Commun, 14, 2023
3A11
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BU of 3a11 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakaraensis KOD1
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Translation initiation factor eIF-2B, ...
Authors:Nakamura, A, Fujihashi, M, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K.
Deposit date:2009-03-25
Release date:2010-03-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1
J.Biol.Chem., 287, 2012
1GZW
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BU of 1gzw by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN GALECTIN-1
Descriptor: BETA-MERCAPTOETHANOL, GALECTIN-1, SULFATE ION, ...
Authors:Lopez-Lucendo, M.I.F, Gabius, H.J, Romero, A.
Deposit date:2002-06-07
Release date:2004-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
2DJQ
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BU of 2djq by Molmil
The solution structure of the first SH3 domain of mouse SH3 domain containing ring finger 2
Descriptor: SH3 domain containing ring finger 2
Authors:Sasagawa, A, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-05
Release date:2006-10-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of the first SH3 domain of mouse SH3 domain containing ring finger 2
To be Published
4IGY
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BU of 4igy by Molmil
Crystal structure of kirola (Act d 11) - triclinic form
Descriptor: CHLORIDE ION, Kirola, UNKNOWN LIGAND
Authors:Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W.
Deposit date:2012-12-18
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
4IGV
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BU of 4igv by Molmil
Crystal structure of kirola (Act d 11)
Descriptor: CHLORIDE ION, Kirola, UNKNOWN LIGAND
Authors:Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W.
Deposit date:2012-12-18
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
4IHR
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BU of 4ihr by Molmil
Crystal structure of recombinant kirola (Act d 11)
Descriptor: CHLORIDE ION, Kirola, UNKNOWN LIGAND
Authors:Osinski, T, Majorek, K.A, Ciardiello, M.A, Chruszcz, M, Minor, W.
Deposit date:2012-12-19
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
2L9V
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BU of 2l9v by Molmil
NMR structure of the FF domain L24A mutant's folding transition state
Descriptor: Pre-mRNA-processing factor 40 homolog A
Authors:Korzhnev, D.M, Vernon, R.M, Religa, T.L, Hansen, A, Baker, D, Fersht, A.R, Kay, L.E.
Deposit date:2011-02-24
Release date:2011-09-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study.
J.Am.Chem.Soc., 133, 2011
5YSF
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BU of 5ysf by Molmil
Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophoropentaose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ...
Authors:Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S.
Deposit date:2017-11-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
2QRW
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BU of 2qrw by Molmil
Crystal structure of Mycobacterium tuberculosis trHbO WG8F mutant
Descriptor: CYANIDE ION, Hemoglobin-like protein HbO, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Milani, M, Bolognesi, M.
Deposit date:2007-07-30
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Roles of Tyr(CD1) and Trp(G8) in Mycobacterium tuberculosis Truncated Hemoglobin O in Ligand Binding and on the Heme Distal Site Architecture
Biochemistry, 46, 2007
8FW4
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BU of 8fw4 by Molmil
Crystal structure of the adenosylcobalamin riboswitch holo conformation in absence of ligand
Descriptor: MAGNESIUM ION, RNA (210-MER)
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2023-01-20
Release date:2023-07-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Crystal structure of cobalamin ribositch in holo conformation without ligand
Nucleic Acids Res., 2023
4IGW
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BU of 4igw by Molmil
Crystal structure of kirola (Act d 11) in P6122 space group
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ...
Authors:Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W.
Deposit date:2012-12-18
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
3P2F
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BU of 3p2f by Molmil
Crystal structure of TofI in an apo form
Descriptor: AHL synthase
Authors:Yu, S, Rhee, S.
Deposit date:2010-10-02
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
1N6U
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BU of 1n6u by Molmil
NMR structure of the interferon-binding ectodomain of the human interferon receptor
Descriptor: Interferon-alpha/beta receptor beta chain
Authors:Chill, J.H, Quadt, S.R, Levy, R, Schreiber, G, Anglister, J.
Deposit date:2002-11-12
Release date:2003-07-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:The human type I interferon receptor. NMR structure reveals the molecular basis of ligand binding.
Structure, 11, 2003
6XTV
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BU of 6xtv by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM WITH BOUND EFFECTOR ARG
Descriptor: ARGININE, Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020

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