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3Q7V
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BU of 3q7v by Molmil
Beta-Lactam-Sensor Domain of BlaR1 (Apo) from Staphylococcus Aureus with Carboxylated Lys392
Descriptor: Beta-lactamase regulatory protein BlaR1, GLYCEROL, SULFATE ION
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-06-29
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3QLD
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BU of 3qld by Molmil
Structure of Probable Mandelate Racemase (AaLAA1DRAFT_2112) from Alicyclobacillus Acidocaldarius
Descriptor: Mandelate racemase/muconate lactonizing protein, SULFATE ION
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-02-02
Release date:2011-04-27
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Probable Mandelate Racemase (AaLAA1DRAFT_2112) from Alicyclobacillus Acidocaldarius
To be published
3Q9C
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BU of 3q9c by Molmil
Crystal Structure of H159A APAH complexed with N8-acetylspermidine
Descriptor: Acetylpolyamine amidohydrolase, N-{4-[(3-aminopropyl)amino]butyl}acetamide, POTASSIUM ION, ...
Authors:Lombardi, P.M, Christianson, D.W.
Deposit date:2011-01-07
Release date:2011-03-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases .
Biochemistry, 50, 2011
3QB1
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BU of 3qb1 by Molmil
Interleukin-2 mutant D10
Descriptor: Interleukin-2
Authors:Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Fathman, C.G, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
3QNZ
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BU of 3qnz by Molmil
Orthorhombic form of IgG1 Fab fragment (in complex with antigenic tubulin peptide) sharing same Fv as IgA
Descriptor: Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL, ...
Authors:Trajtenberg, F, Correa, A, Buschiazzo, A.
Deposit date:2011-02-09
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
3QO6
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BU of 3qo6 by Molmil
Crystal structure analysis of the plant protease Deg1
Descriptor: Protease Do-like 1, chloroplastic, peptide
Authors:Clausen, T.
Deposit date:2011-02-09
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural adaptation of the plant protease Deg1 to repair photosystem II during light exposure.
Nat.Struct.Mol.Biol., 18, 2011
3QCJ
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BU of 3qcj by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
Descriptor: 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QPP
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BU of 3qpp by Molmil
Structure of PDE10-inhibitor complex
Descriptor: 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2011-02-14
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
3QQ8
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BU of 3qq8 by Molmil
Crystal structure of p97-N in complex with FAF1-UBX
Descriptor: CHLORIDE ION, FAS-associated factor 1, Transitional endoplasmic reticulum ATPase
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2011-02-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
3QDG
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BU of 3qdg by Molmil
The complex between TCR DMF5 and human Class I MHC HLA-A2 with the bound MART-1(26-35)(A27L) peptide
Descriptor: Beta-2-microglobulin, DMF5 alpha chain, DMF5 beta chain, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2011-01-18
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:TCRs Used in Cancer Gene Therapy Cross-React with MART-1/Melan-A Tumor Antigens via Distinct Mechanisms.
J.Immunol., 187, 2011
3Q5S
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BU of 3q5s by Molmil
Crystal structure of BmrR bound to Acetylcholine
Descriptor: 23 bp promoter DNA, ACETYLCHOLINE, GLYCEROL, ...
Authors:Bachas, S, Eginton, C, Gunio, G, Wade, H.
Deposit date:2010-12-29
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q7I
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BU of 3q7i by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis complexed with 6-phosphogluconic acid.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-PHOSPHOGLUCONIC ACID, CALCIUM ION, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-04
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
3Q8H
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BU of 3q8h by Molmil
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
3QGD
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BU of 3qgd by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QAH
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BU of 3qah by Molmil
Crystal structure of apo-form human MOF catalytic domain
Descriptor: Probable histone acetyltransferase MYST1, ZINC ION
Authors:Sun, B, Tang, Q, Zhong, C, Ding, J.
Deposit date:2011-01-11
Release date:2011-07-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regulation of the histone acetyltransferase activity of hMOF via autoacetylation of Lys274
Cell Res., 21, 2011
3QCB
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BU of 3qcb by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, apo
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QHD
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BU of 3qhd by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to CYTIDINE, FOL795 and FOL955
Descriptor: 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-25
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3QHW
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BU of 3qhw by Molmil
Structure of a pCDK2/CyclinA transition-state mimic
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, ...
Authors:Young, M.A, Jacobsen, D.M, Bao, Z.Q.
Deposit date:2011-01-26
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis.
Structure, 19, 2011
3QD0
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BU of 3qd0 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide
Descriptor: (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QDL
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BU of 3qdl by Molmil
Crystal structure of RdxA from Helicobacter pyroli
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Oxygen-insensitive NADPH nitroreductase
Authors:Rojas, A.L, Martinez-Julvez, M, Olekhnovich, I.N, Hoffman, P.S, Sancho, J.
Deposit date:2011-01-18
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of RdxA--an oxygen-insensitive nitroreductase essential for metronidazole activation in Helicobacter pylori.
Febs J., 279, 2012
3QIU
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BU of 3qiu by Molmil
Crystal structure of the 226 TCR in complex with MCC/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ...
Authors:Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-27
Release date:2011-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3QJA
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BU of 3qja by Molmil
Crystal Structure of the Mycobacterium tuberculosis Indole-3-glycerol phosphate synthase (TrpC) in apo form
Descriptor: Indole-3-glycerol phosphate synthase, SULFATE ION
Authors:Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-01-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Small-molecule scaffolds for Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) inhibitors identified by high-throughput screening and defined by X-ray crystallography
To be Published
3QKX
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BU of 3qkx by Molmil
Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus influenzae RD at 2.35 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-02-01
Release date:2011-03-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus influenzae RD at 2.35 A resolution
To be published
3QGJ
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BU of 3qgj by Molmil
1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal
Descriptor: 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ...
Authors:Everill, P, Meinke, G, Bohm, A, Bachovchin, W.
Deposit date:2011-01-24
Release date:2012-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
To be Published
3R0R
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BU of 3r0r by Molmil
The 2.3 A structure of porcine circovirus 2
Descriptor: Porcine circovirus 2 (PCV2) capsid protein, SULFATE ION
Authors:Khayat, R, Speir, J.A, Johnson, J.E.
Deposit date:2011-03-08
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The 2.3-angstrom structure of porcine circovirus 2.
J.Virol., 85, 2011

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