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3QKV
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Crystal structure of fatty acid amide hydrolase with small molecule compound
Descriptor: (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-02-01
Release date:2011-04-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QCD
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Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with vanadate, trigonal crystal form
Descriptor: ACETIC ACID, Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 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
3QLC
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BU of 3qlc by Molmil
Complex structure of ATRX ADD domain bound to unmodified H3 1-15 peptide
Descriptor: Transcriptional regulator ATRX, ZINC ION, peptide of Histone H3.3
Authors:Li, H, Patel, D.J.
Deposit date:2011-02-02
Release date:2011-06-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome
Nat.Struct.Mol.Biol., 18, 2011
3QFF
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BU of 3qff by Molmil
Crystal Structure of ADP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthetase
Authors:Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2011-01-21
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
3QH3
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The crystal structure of TCR A6
Descriptor: 1,2-ETHANEDIOL, A6 alpha chain, A6 beta chain, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2011-01-25
Release date:2012-01-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Disparate degrees of hypervariable loop flexibility control T-cell receptor cross-reactivity, specificity, and binding mechanism.
J.Mol.Biol., 414, 2011
3QNR
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BU of 3qnr by Molmil
DyPB from Rhodococcus jostii RHA1, crystal form 1
Descriptor: DyP Peroxidase, FORMIC ACID, GLYCEROL, ...
Authors:Singh, R, Roberts, J.N, Grigg, J.C, Eltis, L.D, Murphy, M.E.P.
Deposit date:2011-02-09
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of dye-decolorizing peroxidases from Rhodococcus jostii RHA1.
Biochemistry, 50, 2011
3QI9
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BU of 3qi9 by Molmil
Crystal structure of mouse CD1d-alpha-phosphotidylinositol with mouse Valpha14-Vbeta6 2A3-D NKT TCR
Descriptor: 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Clarke, A.J, Rossjohn, J.
Deposit date:2011-01-26
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A molecular basis for NKT cell recognition of CD1d-self-antigen
Immunity, 34, 2011
3QIW
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Crystal structure of the 226 TCR in complex with MCC-p5E/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:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3QJ9
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Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, Fatty-acid amide hydrolase 1, ...
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJY
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Crystal structure of P-loop G234A mutant of subunit A of the A1AO ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
Authors:Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G.
Deposit date:2011-01-31
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
3Q7S
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BU of 3q7s by Molmil
2.1A resolution structure of the ChxR receiver domain containing I3C from Chlamydia trachomatis
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Transcriptional regulatory protein
Authors:Hickey, J, Lovell, S, Battaile, K.P, Hu, L, Middaugh, C.R, Hefty, P.S.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The atypical response regulator protein ChxR has structural characteristics and dimer interface interactions that are unique within the OmpR/PhoB subfamily.
J.Biol.Chem., 286, 2011
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
3QKQ
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BU of 3qkq by Molmil
Protein Tyrosine Phosphatase 1B - W179F mutant bound with vanadate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ...
Authors:Brandao, T.A.S, Johnson, S.J, Hengge, A.C.
Deposit date:2011-02-01
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B.
Arch.Biochem.Biophys., 525, 2012
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
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:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Probable Mandelate Racemase (AaLAA1DRAFT_2112) from Alicyclobacillus Acidocaldarius
To be published
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:2024-11-06
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
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:2024-11-06
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
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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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
3Q6U
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BU of 3q6u by Molmil
Structure of the apo MET receptor kinase in the dually-phosphorylated, activated state
Descriptor: Hepatocyte growth factor receptor
Authors:Soisson, S.M, Rickert, K.W, Patel, S.B, Allison, T, Lumb, K.J.
Deposit date:2011-01-03
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for selective small molecule kinase inhibition of activated c-Met.
J.Biol.Chem., 286, 2011
3Q8H
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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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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

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