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6U09
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BU of 6u09 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
1XKU
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BU of 1xku by Molmil
Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin
Authors:Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J.
Deposit date:2004-09-29
Release date:2004-11-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
1KE3
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BU of 1ke3 by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4,4'-biphenyldiboronic acid
Descriptor: 4,4'-BIPHENYLDIBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-14
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
6GPC
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BU of 6gpc by Molmil
Crystal structure of the arginine-bound form of domain 1 from TmArgBP
Descriptor: ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ...
Authors:Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L.
Deposit date:2018-06-05
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection.
Int. J. Biol. Macromol., 119, 2018
6KK7
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BU of 6kk7 by Molmil
Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain
Descriptor: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
2YXC
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BU of 2yxc by Molmil
The H25M mutant of tetraheme cytochrome c3 from Desulfovibrio Vulgaris Miyazaki F
Descriptor: Cytochrome c3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Higuchi, Y, Komori, H.
Deposit date:2007-04-26
Release date:2008-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Strategic roles of axial histidines in structure formation and redox regulation of tetraheme cytochrome c3.
Biochemistry, 47, 2008
3ZVU
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BU of 3zvu by Molmil
Structure of the PYR1 His60Pro mutant in complex with the HAB1 phosphatase and Abscisic acid
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABSCISIC ACID RECEPTOR PYR1, MANGANESE (II) ION, ...
Authors:Betz, K, Dupeux, F, Santiago, J, Rodriguez, P.L, Marquez, J.A.
Deposit date:2011-07-27
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Thermodynamic Switch Modulates Abscisic Acid Receptor Sensitivity.
Embo J., 30, 2011
1KDW
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BU of 1kdw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid
Descriptor: 4-CARBOXYPHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
3D8V
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BU of 3d8v by Molmil
Crystal structure of GlmU from Mycobacterium tuberculosis in complex with uridine-diphosphate-N-acetylglucosamine
Descriptor: Bifunctional protein glmU, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Zhang, Z, Squire, C.J, Baker, E.N.
Deposit date:2008-05-25
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
1L7F
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BU of 1l7f by Molmil
Crystal structure of influenza virus neuraminidase in complex with BCX-1812
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ...
Authors:Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M.
Deposit date:2002-03-15
Release date:2002-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
2P73
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BU of 2p73 by Molmil
crystal structure of a glycosyltransferase involved in the glycosylation of the major capsid of PBCV-1
Descriptor: MANGANESE (II) ION, Putative glycosyltransferase (Mannosyltransferase) involved in glycosylating the PBCV-1 major capsid protein, URIDINE-5'-DIPHOSPHATE
Authors:Zhang, Y, Xiang, Y, Van Etten, J.L, Rossmann, M.G.
Deposit date:2007-03-19
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of a chlorella virus-encoded glycosyltransferase.
Structure, 15, 2007
3RUM
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BU of 3rum by Molmil
New strategy to analyze structures of glycopeptide antibiotic-target complexes
Descriptor: 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose, ISOPROPYL ALCOHOL, Maltose-binding periplasmic protein, ...
Authors:Economou, N.J, Weeks, S.D, Grasty, K.C, Nahoum, V, Loll, P.J.
Deposit date:2011-05-05
Release date:2012-06-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:A carrier protein strategy yields the structure of dalbavancin.
J.Am.Chem.Soc., 134, 2012
6GPM
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BU of 6gpm by Molmil
Crystal structure of domain 2 from TmArgBP
Descriptor: Amino acid ABC transporter, periplasmic amino acid-binding protein
Authors:Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L.
Deposit date:2018-06-06
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection.
Int. J. Biol. Macromol., 119, 2018
3RUL
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BU of 3rul by Molmil
New strategy to analyze structures of glycopeptide-target complexes
Descriptor: 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-glucopyranuronic acid, CHLORIDE ION, ...
Authors:Economou, N.J, Nahoum, V, Weeks, S.D, Grasty, K.C, Loll, P.J.
Deposit date:2011-05-05
Release date:2012-06-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A carrier protein strategy yields the structure of dalbavancin.
J.Am.Chem.Soc., 134, 2012
4HBI
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BU of 4hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM
Descriptor: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-24
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
3GS0
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BU of 3gs0 by Molmil
Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16)
Descriptor: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-26
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
4Q5H
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BU of 4q5h by Molmil
Shigella Effector Kinase OspG bound to AMPPNP and E2-Ub UbcH7-Ub Conjugate
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Polyubiquitin, ...
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2014-04-16
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural Basis for the Inhibition of Host Protein Ubiquitination by Shigella Effector Kinase OspG.
Structure, 22, 2014
1L7G
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BU of 1l7g by Molmil
Crystal structure of E119G mutant influenza virus neuraminidase in complex with BCX-1812
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ...
Authors:Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M.
Deposit date:2002-03-15
Release date:2002-05-29
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
6KK1
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BU of 6kk1 by Molmil
Structure of thermal-stabilised(M8) human GLP-1 receptor transmembrane domain
Descriptor: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
1SWC
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BU of 1swc by Molmil
APO-CORE-STREPTAVIDIN AT PH 4.5
Descriptor: STREPTAVIDIN
Authors:Freitag, S, Le Trong, I, Klumb, L, Stayton, P.S, Stenkamp, R.E.
Deposit date:1997-03-04
Release date:1998-03-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of the streptavidin binding loop.
Protein Sci., 6, 1997
2APH
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BU of 2aph by Molmil
Crystal structure of human PGRP-IalphaC in complex with muramyl pentapeptide
Descriptor: N-acetyl-beta-muramic acid, Peptidoglycan recognition protein I-alpha, SULFATE ION, ...
Authors:Guan, R, Roychowdjury, A, Boons, G, Mariuzza, R.A.
Deposit date:2005-08-16
Release date:2006-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human peptidoglycan recognition protein I alpha bound to a muramyl pentapeptide from Gram-positive bacteria.
Protein Sci., 15, 2006
1SWA
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BU of 1swa by Molmil
APO-CORE-STREPTAVIDIN AT PH 4.5
Descriptor: STREPTAVIDIN
Authors:Freitag, S, Le Trong, I, Klumb, L, Stayton, P.S, Stenkamp, R.E.
Deposit date:1997-03-02
Release date:1998-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of the streptavidin binding loop.
Protein Sci., 6, 1997
1K6L
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BU of 1k6l by Molmil
Photosynethetic Reaction Center from Rhodobacter sphaeroides
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M.
Deposit date:2001-10-16
Release date:2002-08-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
2WIB
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BU of 2wib by Molmil
Crystal Structures of the N-terminal Intracellular Domain of FeoB from Klebsiella Pneumoniae in GDP binding state
Descriptor: FERROUS IRON TRANSPORT PROTEIN B, GUANOSINE-5'-DIPHOSPHATE
Authors:Hung, K.-W, Chang, Y.-W, Chen, J.-H, Chen, Y.-C, Sun, Y.-J, Hsiao, C.-D, Huang, T.-H.
Deposit date:2009-05-09
Release date:2010-05-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural Fold, Conservation and Fe(II) Binding of the Intracellular Domain of Prokaryote Feob.
J.Struct.Biol., 170, 2010
1Z7L
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BU of 1z7l by Molmil
Crystal structure of fragment of mouse ubiquitin-activating enzyme
Descriptor: HEXATANTALUM DODECABROMIDE, Ubiquitin-activating enzyme E1 1
Authors:Szczepanowski, R.H, Filipek, R, Bochtler, M.
Deposit date:2005-03-25
Release date:2005-04-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a fragment of mouse ubiquitin-activating enzyme.
J.Biol.Chem., 280, 2005

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