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4I7S
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BU of 4i7s by Molmil
T4 Lysozyme L99A/M102H with 3-trifluoromethyl-5-methyl pyrazole bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 5-methyl-3-(trifluoromethyl)-1H-pyrazole, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
2UZS
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BU of 2uzs by Molmil
A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K)
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase
Authors:Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E.
Deposit date:2007-05-01
Release date:2007-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
1RNB
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BU of 1rnb by Molmil
CRYSTAL STRUCTURE OF A BARNASE-D(*GP*C) COMPLEX AT 1.9 ANGSTROMS RESOLUTION
Descriptor: BARNASE, DNA (5'-D(*GP*C)-3'), SULFATE ION
Authors:Janin, J, Baudet, S.
Deposit date:1991-03-19
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a barnase-d(GpC) complex at 1.9 A resolution.
J.Mol.Biol., 219, 1991
4JXV
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BU of 4jxv by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5)
Descriptor: 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Hendershot, J.M.
Deposit date:2013-03-28
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
4E0N
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BU of 4e0n by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
1B21
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BU of 1b21 by Molmil
DELETION OF A BURIED SALT BRIDGE IN BARNASE
Descriptor: PROTEIN (BARNASE), ZINC ION
Authors:Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R.
Deposit date:1998-12-03
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase.
Acta Crystallogr.,Sect.D, 58, 2002
4K4Y
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BU of 4k4y by Molmil
Coxsackievirus B3 polymerase elongation complex (r2+1_form)
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, ACETATE ION, DNA/RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*(DOC))-3'), ...
Authors:Gong, P, Peersen, O.B.
Deposit date:2013-04-12
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
1BAN
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BU of 1ban by Molmil
THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS
Descriptor: BARNASE
Authors:Chen, Y.W, Fersht, A.R, Henrick, K.
Deposit date:1993-05-19
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contribution of buried hydrogen bonds to protein stability. The crystal structures of two barnase mutants.
J.Mol.Biol., 234, 1993
1AR7
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BU of 1ar7 by Molmil
P1/MAHONEY POLIOVIRUS, DOUBLE MUTANT P1095S + H2142Y
Descriptor: MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE
Authors:Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M.
Deposit date:1997-08-11
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
1B27
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BU of 1b27 by Molmil
STRUCTURAL RESPONSE TO MUTATION AT A PROTEIN-PROTEIN INTERFACE
Descriptor: PROTEIN (BARNASE), PROTEIN (BARSTAR)
Authors:Vaughan, C.K, Buckle, A.M, Fersht, A.R.
Deposit date:1998-12-04
Release date:1998-12-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural response to mutation at a protein-protein interface.
J.Mol.Biol., 286, 1999
1B9V
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BU of 1b9v by Molmil
NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE
Descriptor: 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M.
Deposit date:1999-02-15
Release date:1999-02-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
1BA8
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BU of 1ba8 by Molmil
THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-23
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1UTO
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BU of 1uto by Molmil
Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, GLYCEROL, ...
Authors:Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O.
Deposit date:2003-12-09
Release date:2004-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
1ASJ
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BU of 1asj by Molmil
P1/MAHONEY POLIOVIRUS, AT CRYOGENIC TEMPERATURE
Descriptor: MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE
Authors:Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M.
Deposit date:1997-08-11
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
1AR8
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BU of 1ar8 by Molmil
P1/MAHONEY POLIOVIRUS, MUTANT P1095S
Descriptor: MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE
Authors:Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M.
Deposit date:1997-08-11
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
1UMU
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BU of 1umu by Molmil
STRUCTURE DETERMINATION OF UMUD' BY MAD PHASING OF THE SELENOMETHIONYL PROTEIN
Descriptor: UMUD'
Authors:Peat, T.S, Hendrickson, W.A.
Deposit date:1996-03-07
Release date:1996-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the UmuD' protein and its regulation in response to DNA damage.
Nature, 380, 1996
2XDC
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BU of 2xdc by Molmil
Structure of linear gramicidin D obtained using Type I crystals grown in a lipid cubic phase.
Descriptor: GRAMICIDIN A, POLYETHYLENE GLYCOL (N=34), SODIUM ION
Authors:Hoefer, N, Aragao, D, Caffrey, M.
Deposit date:2010-04-30
Release date:2010-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallizing Transmembrane Peptides in Lipidic Mesophases
Biophys.J., 99, 2010
2Y5M
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BU of 2y5m by Molmil
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 7.7 MONOACYLGLYCEROL LIPID CUBIC PHASE.
Descriptor: POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A
Authors:Hoefer, N, Aragao, D, Caffrey, M.
Deposit date:2011-01-14
Release date:2011-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide
Cryst.Growth Des., 11, 2011
1CIP
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BU of 1cip by Molmil
GI-ALPHA-1 SUBUNIT OF GUANINE NUCLEOTIDE-BINDING PROTEIN COMPLEXED WITH A GTP ANALOGUE
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (GUANINE NUCLEOTIDE-BINDING PROTEIN ALPHA-1 SUBUNIT)
Authors:Coleman, D, Sprang, S.
Deposit date:1999-04-05
Release date:1999-04-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Gialpha1.GppNHp, autoinhibition in a galpha protein-substrate complex.
J.Biol.Chem., 274, 1999
4K4T
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BU of 4k4t by Molmil
Poliovirus polymerase elongation complex (r4_form)
Descriptor: GLYCEROL, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*GP*AP*AP*A)-3'), RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3'), ...
Authors:Gong, P, Peersen, O.B.
Deposit date:2013-04-12
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
2X7O
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BU of 2x7o by Molmil
Crystal structure of TGFbRI complexed with an indolinone inhibitor
Descriptor: (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I
Authors:Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E.
Deposit date:2010-03-03
Release date:2010-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
2WPZ
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BU of 2wpz by Molmil
GCN4 leucine zipper mutant with two VxxNxxx motifs coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
1A19
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BU of 1a19 by Molmil
BARSTAR (FREE), C82A MUTANT
Descriptor: BARSTAR
Authors:Ratnaparkhi, G.S, Varadarajan, R.
Deposit date:1997-12-25
Release date:1998-04-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discrepancies between the NMR and X-ray structures of uncomplexed barstar: analysis suggests that packing densities of protein structures determined by NMR are unreliable.
Biochemistry, 37, 1998
1SUC
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BU of 1suc by Molmil
CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN
Descriptor: ACETONE, POTASSIUM ION, SUBTILISIN BPN' CRB-S3
Authors:Gallagher, T, Bryan, P, Gilliland, G.L.
Deposit date:1992-06-10
Release date:1994-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calcium-independent subtilisin by design.
Proteins, 16, 1993
2WQ0
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BU of 2wq0 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009

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