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4AM6
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BU of 4am6 by Molmil
C-TERMINAL DOMAIN OF ACTIN-RELATED PROTEIN ARP8 FROM S. CEREVISIAE
Descriptor: ACTIN-LIKE PROTEIN ARP8, SULFATE ION
Authors:Wuerges, J, Saravanan, M, Bose, D, Cook, N.J, Zhang, X, Wigley, D.B.
Deposit date:2012-03-07
Release date:2012-12-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interactions between the Nucleosome Histone Core and Arp8 in the Ino80 Chromatin Remodeling Complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
3D8X
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BU of 3d8x by Molmil
Crystal Structure of Saccharomyces cerevisiae NDPPH Dependent Thioredoxin Reductase 1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1
Authors:Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z.
Deposit date:2008-05-26
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Saccharomyces cerevisiae cytoplasmic thioredoxin reductase Trr1 reveals the structural basis for species-specific recognition of thioredoxin
Biochim.Biophys.Acta, 1794, 2009
4DLS
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BU of 4dls by Molmil
H-Ras Set 1 CaCl2 'Mixed'
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DN4
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BU of 4dn4 by Molmil
Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a
Descriptor: ACETATE ION, C-C motif chemokine 2, CNTO888 HEAVY CHAIN, ...
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
4KPG
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BU of 4kpg by Molmil
Crystal structure of MycP1 from the ESX-1 type VII secretion system
Descriptor: Membrane-anchored mycosin mycp1
Authors:Solomonson, M, Wasney, G.A, Watanabe, N, Gruninger, R.J, Prehna, G, Strynadka, N.C.J.
Deposit date:2013-05-13
Release date:2013-05-22
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Structure of the Mycosin-1 Protease from the Mycobacterial ESX-1 Protein Type VII Secretion System.
J.Biol.Chem., 288, 2013
3DJO
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BU of 3djo by Molmil
Bovine Seminal Ribonuclease uridine 2' phosphate complex
Descriptor: ACETATE ION, PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Seminal ribonuclease
Authors:Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-06-24
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors
Eur.J.Med.Chem., 44, 2009
4KQ8
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BU of 4kq8 by Molmil
Structure of Recombinant Human Cytochrome P450 Aromatase
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
Authors:Ghosh, D, Di Nardo, G, Griswold, J.
Deposit date:2013-05-14
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase.
Biochemistry, 52, 2013
3CG4
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BU of 3cg4 by Molmil
Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1
Descriptor: GLYCEROL, MAGNESIUM ION, Response regulator receiver domain protein (CheY-like)
Authors:Patskovsky, Y, Freeman, J, Hu, S, Bain, K, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-04
Release date:2008-03-11
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of Response Regulator Receiver Domain Protein (Chey-Like) from Methanospirillum hungatei JF-1.
To be Published
4DSN
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BU of 4dsn by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DTE
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BU of 4dte by Molmil
Crystal structure of zebrafish plasminogen activator inhibitor-1 (PAI-1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Serpin peptidase inhibitor, clade E (nexin, ...
Authors:Johansen, J.S.
Deposit date:2012-02-21
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Protein conformational change delayed by steric hindrance from an N-linked glycan.
J.Mol.Biol., 425, 2013
4KS1
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BU of 4ks1 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4B1E
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BU of 4b1e by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
3CLP
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BU of 3clp by Molmil
M. loti cyclic-nucleotide binding domain mutant 2
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Mll3241 protein
Authors:Clayton, G.M, Altieri, S.L, Thomas, L.R, Morais-Cabral, J.H.
Deposit date:2008-03-19
Release date:2008-08-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain.
J.Mol.Biol., 381, 2008
4B2S
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BU of 4b2s by Molmil
Solution structure of CCP modules 11-12 of complement factor H
Descriptor: COMPLEMENT FACTOR H
Authors:Makou, E, Mertens, H.D, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N.
Deposit date:2012-07-17
Release date:2012-10-17
Last modified:2013-05-08
Method:SOLUTION NMR
Cite:Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
4J9D
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BU of 4j9d by Molmil
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0
Descriptor: P0, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A.
Deposit date:2013-02-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0
To be Published
4BAD
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BU of 4bad by Molmil
Hen egg-white lysozyme structure in complex with the europium tris- hydroxymethyltriazoledipicolinate complex at 1.35 A resolution.
Descriptor: 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
Deposit date:2012-09-13
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4B7N
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BU of 4b7n by Molmil
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
Authors:van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J.
Deposit date:2012-08-21
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
3CQQ
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BU of 3cqq by Molmil
Human SOD1 G85R Variant, Structure II
Descriptor: ACETYL GROUP, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Cao, X, Antonyuk, S, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J.
Deposit date:2008-04-03
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
4DD9
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BU of 4dd9 by Molmil
EVAL processed HEWL, carboplatin DMSO paratone
Descriptor: DIMETHYL SULFOXIDE, Lysozyme C, carboplatin
Authors:Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
Deposit date:2012-01-18
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4B5L
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BU of 4b5l by Molmil
The 1.6 A High Energy Room Temperature Structure of Proteinase K at 38.4 keV and 0.04 MGy
Descriptor: CALCIUM ION, PROTEINASE K
Authors:Jakoncic, J.
Deposit date:2012-08-05
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High Energy Macromolecular Crystallography Enables Data Collection at Room Temperature
To be Published
4DID
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BU of 4did by Molmil
Crystal structure of Salmonella effector N-terminal domain SopB in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Inositol phosphate phosphatase sopB, ...
Authors:Burkinshaw, B.J, Strynadka, N.C.J.
Deposit date:2012-01-30
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3501 Å)
Cite:Structure of Salmonella Effector Protein SopB N-terminal Domain in Complex with Host Rho GTPase Cdc42.
J.Biol.Chem., 287, 2012
4JJB
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BU of 4jjb by Molmil
Crystal structure of the Abl-SH3 domain at pH3
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A, Martin-Garcia, J.M.
Deposit date:2013-03-07
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the Abl-SH3 domain at pH3
To be Published
4DJY
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BU of 4djy by Molmil
Structure of BACE Bound to (R)-5-cyclopropyl-2-imino-3-methyl-5-(3-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)imidazolidin-4-one
Descriptor: (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4B7Q
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BU of 4b7q by Molmil
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
Authors:Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J.
Deposit date:2012-08-21
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
3CYE
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BU of 3cye by Molmil
Cyrstal structure of the native 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Zhu, X, Xu, X, Wilson, I.A.
Deposit date:2008-04-25
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure determination of the 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects
Acta Crystallogr.,Sect.D, 64, 2008

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