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3H9K
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BU of 3h9k by Molmil
Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry
Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Gibson, L.M, Lovelace, L.L, Lebioda, L.
Deposit date:2009-04-30
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
3GSO
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BU of 3gso by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV peptide
Descriptor: Beta-2-microglobulin, HCMV pp65 fragment 495-503 (NLVPMVATV), HLA class I histocompatibility antigen, ...
Authors:Gras, S, Saulquin, X, Reiser, J.-B, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
Deposit date:2009-03-27
Release date:2009-08-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3HBU
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BU of 3hbu by Molmil
PrtC methionine mutants: M226H DESY
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3HCG
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BU of 3hcg by Molmil
Structure of the C-terminal domain (MsrB) of Neisseria meningitidis PilB (reduced form)
Descriptor: PHOSPHATE ION, Peptide methionine sulfoxide reductase msrA/msrB
Authors:Ranaivoson, F.M, Kauffmann, B, Favier, F.
Deposit date:2009-05-06
Release date:2009-10-13
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Methionine sulfoxide reductase B displays a high level of flexibility.
J.Mol.Biol., 394, 2009
3GV5
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BU of 3gv5 by Molmil
Human DNA polymerase iota in complex with T template DNA and incoming ddADP
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE, 5'-D(*GP*TP*GP*GP*AP*TP*GP*AP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*TP*CP*AP*TP*CP*CP*AP*C)-3', ...
Authors:Kirouac, K.N, Ling, H.
Deposit date:2009-03-30
Release date:2009-06-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of error-prone replication and stalling at a thymine base by human DNA polymerase iota
Embo J., 28, 2009
3GLP
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BU of 3glp by Molmil
1.23 A resolution X-ray structure of (GCUGCUGC)2
Descriptor: 5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3', GLYCEROL, SULFATE ION
Authors:Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural insights into CUG repeats containing the 'stretched U-U wobble': implications for myotonic dystrophy.
Nucleic Acids Res., 37, 2009
3GVM
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BU of 3gvm by Molmil
Structure of the homodimeric WXG-100 family protein from Streptococcus agalactiae
Descriptor: Putative uncharacterized protein SAG1039
Authors:Poulsen, C, Gries, F, Wilmanns, M, Song, Y.H.
Deposit date:2009-03-31
Release date:2010-09-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
3GVW
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BU of 3gvw by Molmil
Single-chain UROD F217Y (YF) mutation
Descriptor: Uroporphyrinogen decarboxylase
Authors:Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P.
Deposit date:2009-03-31
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen.
J.Mol.Biol., 389, 2009
3GMV
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BU of 3gmv by Molmil
Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Apo Form
Descriptor: Beta-lactamase inhibitory protein BLIP-I, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Lim, D.C, Gretes, M, Strynadka, N.C.J.
Deposit date:2009-03-15
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 2009
3HC1
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BU of 3hc1 by Molmil
Crystal structure of HDOD domain protein with unknown function (NP_953345.1) from GEOBACTER SULFURREDUCENS at 1.90 A resolution
Descriptor: CHLORIDE ION, FE (III) ION, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-05-05
Release date:2009-06-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of HDOD domain protein with unknown function (NP_953345.1) from GEOBACTER SULFURREDUCENS at 1.90 A resolution
To be published
3HCA
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BU of 3hca by Molmil
Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
Descriptor: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-05-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3GP3
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BU of 3gp3 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 2-phosphoserine
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, PHOSPHITE ION, PHOSPHOSERINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-20
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3HCU
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BU of 3hcu by Molmil
Crystal structure of TRAF6 in complex with Ubc13 in the C2 space group
Descriptor: TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
3I49
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BU of 3i49 by Molmil
Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate and methylated trinucleotide T-meC-T
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(P*TP*(ME6)P*T)-3'), ...
Authors:Yu, B, Hunt, J.F.
Deposit date:2009-07-01
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB.
Proc.Natl.Acad.Sci.USA, 106, 2009
3I4A
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BU of 3i4a by Molmil
Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine
Descriptor: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine
Authors:Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D.
Deposit date:2009-07-01
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
3I4L
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BU of 3i4l by Molmil
Structural characterization for the nucleotide binding ability of subunit A with AMP-PNP of the A1AO ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ...
Authors:Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Jeyakanthan, J, Gruber, G.
Deposit date:2009-07-01
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
3I5V
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BU of 3i5v by Molmil
Crystal structure of beta toxin 275-280 from Staphylococcus aureus
Descriptor: Beta-hemolysin, DIACYL GLYCEROL
Authors:Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H.
Deposit date:2009-07-06
Release date:2010-08-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence
To be Published
3HQ5
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BU of 3hq5 by Molmil
Progesterone Receptor bound to an Alkylpyrrolidine ligand.
Descriptor: 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile, GLYCEROL, Progesterone receptor, ...
Authors:Madauss, K.P, Williams, S.P, Washburn, D.G.
Deposit date:2009-06-05
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists.
Bioorg.Med.Chem.Lett., 19, 2009
3HRI
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BU of 3hri by Molmil
Histidyl-tRNA synthetase (apo) from Trypanosoma brucei
Descriptor: Histidyl-tRNA synthetase
Authors:Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-09
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs.
J.Mol.Biol., 397, 2010
3HT6
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BU of 3ht6 by Molmil
2-methylphenol in complex with T4 lysozyme L99A/M102Q
Descriptor: Lysozyme, PHOSPHATE ION, o-cresol
Authors:Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
Deposit date:2009-06-11
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTD
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BU of 3htd by Molmil
(Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q
Descriptor: (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ...
Authors:Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
Deposit date:2009-06-11
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTQ
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BU of 3htq by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
Deposit date:2009-06-12
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
3HVM
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BU of 3hvm by Molmil
Agmatine Deiminase from Helicobacter pylori
Descriptor: AGMATINE DEIMINASE
Authors:Jones, J, Lovelace, L, Lebioda, L, Thompson, P.
Deposit date:2009-06-16
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization and inactivation of an agmatine deiminase from Helicobacter pylori.
Bioorg.Chem., 38, 2010
3HWK
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BU of 3hwk by Molmil
Crystal structure of methylcitrate synthase from Mycobacterium tuberculosis
Descriptor: Methylcitrate synthase, SUCCINIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-17
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HXZ
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BU of 3hxz by Molmil
Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Guo, M, Yang, X.-L, Schimmel, P.
Deposit date:2009-06-22
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009

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