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3FQO
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Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethylpyrimidine (UCP120B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2009-01-07
Release date:2009-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
2OIZ
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BU of 2oiz by Molmil
Crystal Structure of the Tryptamine-Derived (Indol-3-Acetamide)-TTQ Adduct of Aromatic Amine Dehydrogenase
Descriptor: 2-(1H-INDOL-3-YL)ACETAMIDE, Aromatic amine dehydrogenase, large subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-12
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2O19
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BU of 2o19 by Molmil
Structure of E. coli topoisomersae III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol at pH 5.5
Descriptor: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', ACETIC ACID, CHLORIDE ION, ...
Authors:Changela, A, DiGate, R, Mondragon, A.
Deposit date:2006-11-28
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
3FST
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BU of 3fst by Molmil
Crystal Structure of Escherichia coli Methylenetetrahydrofolate Reductase Mutant Phe223Leu at pH 7.4
Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, MESO-ERYTHRITOL, ...
Authors:Tanner, J.J.
Deposit date:2009-01-12
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional role for the conformationally mobile phenylalanine 223 in the reaction of methylenetetrahydrofolate reductase from Escherichia coli.
Biochemistry, 48, 2009
2O3A
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BU of 2o3a by Molmil
Crystal structure of a protein AF_0751 from Archaeoglobus fulgidus
Descriptor: UPF0106 protein AF_0751
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Wu, B, Slocombe, A, Sridhar, V, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-12-01
Release date:2006-12-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a protein AF_0751 from Archaeoglobus fulgidus
To be Published
3G59
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BU of 3g59 by Molmil
Crystal Structure of Candida glabrata FMN Adenylyltransferase in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, FMN Adenylyltransferase, ...
Authors:Huerta, C, Zhang, H.
Deposit date:2009-02-04
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure and mechanism of a eukaryotic FMN adenylyltransferase.
J.Mol.Biol., 389, 2009
3POW
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Crystal structure of the globular domain of human calreticulin
Descriptor: CALCIUM ION, calreticulin
Authors:Gaboriaud, C.
Deposit date:2010-11-23
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray structure of the human calreticulin globular domain reveals a Peptide-binding area and suggests a multi-molecular mechanism
Plos One, 6, 2011
2NSN
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BU of 2nsn by Molmil
Crystal structure of Caspace Activation and Recruitment Domain (CARD) of NOD1
Descriptor: Caspase recruitment domain-containing protein 4
Authors:Ramaswamy, S, Coussens, N.P.
Deposit date:2006-11-05
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the Nod1 caspase activation and recruitment domain.
Biochem.Biophys.Res.Commun., 353, 2007
3G6K
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BU of 3g6k by Molmil
Crystal Structure of Candida glabrata FMN Adenylyltransferase in complex with FAD and Inorganic Pyrophosphate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FMN adenylyltransferase, MAGNESIUM ION, ...
Authors:Huerta, C, Machius, M, Zhang, H.
Deposit date:2009-02-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure and mechanism of a eukaryotic FMN adenylyltransferase.
J.Mol.Biol., 389, 2009
3PPW
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Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
2NW3
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BU of 2nw3 by Molmil
Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A
Descriptor: Beta-2-microglobulin, EBV peptide EPLPQGQLTAY, HLA class I histocompatibility antigen, ...
Authors:Tynan, F.E, Reid, H.H, Rossjohn, J.
Deposit date:2006-11-14
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
3FXL
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BU of 3fxl by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 1 mM of Mn2+
Descriptor: CITRATE ANION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FQD
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BU of 3fqd by Molmil
Crystal Structure of the S. pombe Rat1-Rai1 Complex
Descriptor: 5'-3' exoribonuclease 2, GLYCEROL, MAGNESIUM ION, ...
Authors:Xiang, S, Tong, L.
Deposit date:2009-01-07
Release date:2009-02-03
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
3PT5
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BU of 3pt5 by Molmil
Crystal structure of NanS
Descriptor: NANS (YJHS), A 9-O-acetyl N-acetylneuraminic acid esterase
Authors:Ruane, K.M, Rangarajan, E.S, Proteau, A, Schrag, J.D, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-12-02
Release date:2011-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and enzymatic characterization of NanS (YjhS), a 9-O-Acetyl N-acetylneuraminic acid esterase from Escherichia coli O157:H7.
Protein Sci., 20, 2011
3PU1
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BU of 3pu1 by Molmil
Crystal Structure of a vesicular stomatitis virus nucleocapsid-polyG complex
Descriptor: Nucleoprotein, RNA (45-MER), URANYL (VI) ION
Authors:Luo, M, Green, T.J, Rowse, M.
Deposit date:2010-12-03
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Access to RNA Encapsidated in the Nucleocapsid of Vesicular Stomatitis Virus.
J.Virol., 85, 2011
2NXV
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BU of 2nxv by Molmil
Structure of the 6th ORF of the Rhodobacter blastica ATPase operon; Majastridin
Descriptor: ATP synthase subunits region ORF 6, GLYCEROL
Authors:Enroth, C, Strid, A.
Deposit date:2006-11-20
Release date:2007-12-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of a protein, structurally related to glycosyltransferases, encoded in the Rhodobacter blasticus atp operon.
Biochim.Biophys.Acta, 1784, 2008
3PV4
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BU of 3pv4 by Molmil
Structure of Legionella fallonii DegQ (Delta-PDZ2 variant)
Descriptor: CADMIUM ION, DegQ
Authors:Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
Deposit date:2010-12-06
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
2NY5
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BU of 2ny5 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T257S, V275C, S334A, S375W, Q428C, A433M) Complexed with CD4 and Antibody 17b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
3FQZ
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BU of 3fqz by Molmil
Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine
Descriptor: 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2009-01-07
Release date:2009-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
3PWE
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BU of 3pwe by Molmil
Crystal structure of the E. coli beta clamp mutant R103C, I305C, C260S, C333S at 2.2A resolution
Descriptor: DNA polymerase III subunit beta
Authors:Marzahn, M.R, Robbins, A.H, McKenna, R, Bloom, L.B.
Deposit date:2010-12-08
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:The E. coli clamp loader can actively pry open the beta-sliding clamp
J.Biol.Chem., 286, 2011
3FWK
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Crystal Structure of Candida glabrata FMN Adenylyltransferase
Descriptor: CHLORIDE ION, FMN Adenylyltransferase, beta-D-glucopyranose
Authors:Huerta, C, Borek, D, Zhang, H.
Deposit date:2009-01-18
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure and mechanism of a eukaryotic FMN adenylyltransferase.
J.Mol.Biol., 389, 2009
3PXH
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BU of 3pxh by Molmil
Tandem Ig domains of tyrosine phosphatase LAR
Descriptor: Receptor-type tyrosine-protein phosphatase F, SULFATE ION
Authors:Biersmith, B.H, Bouyain, S.
Deposit date:2010-12-09
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0009 Å)
Cite:The Immunoglobulin-like Domains 1 and 2 of the Protein Tyrosine Phosphatase LAR Adopt an Unusual Horseshoe-like Conformation.
J.Mol.Biol., 408, 2011
3UTQ
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BU of 3utq by Molmil
Human HLA-A*0201-ALWGPDPAAA
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M.
Deposit date:2011-11-26
Release date:2012-01-25
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3UC9
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Crystal Structure of Yeast Irc6p - A Novel Type of Conserved Clathrin Accessory Protein
Descriptor: Increased recombination centers protein 6
Authors:Gorynia, S, Payne, G.S, Cascio, D, Sawaya, M.R.
Deposit date:2011-10-26
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Yeast Irc6p is a novel type of conserved clathrin coat accessory factor related to small G proteins.
Mol Biol Cell, 23, 2012
3G0G
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Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3
Descriptor: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011

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