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3Q67
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Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Sawaya, M.R, Cascio, D, Balendiran, G.K.
Deposit date:2010-12-30
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The role of Cys-298 in aldose reductase function.
J.Biol.Chem., 286, 2011
3Q8A
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BU of 3q8a by Molmil
Crystal structure of WT Protective Antigen (pH 5.5)
Descriptor: CALCIUM ION, Protective antigen
Authors:Rajapaksha, M, Lovell, S, Janowiak, B.E, Andra, K.K, Battaile, K.P, Bann, J.G.
Deposit date:2011-01-06
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.129 Å)
Cite:pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2.
Protein Sci., 21, 2012
3Q7R
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1.6A resolution structure of the ChxR receiver domain from Chlamydia trachomatis
Descriptor: 1,2-ETHANEDIOL, 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 (1.6 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
3Q9Z
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Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Ranchio, A, Papinutto, E.
Deposit date:2011-01-10
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
3QCC
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Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with vanadate, orthorhombic crystal form
Descriptor: 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 (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
3QCY
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Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide
Descriptor: (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-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 (2.2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD8
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Crystal structure of Mycobacterium tuberculosis BfrB
Descriptor: Probable bacterioferritin BfrB
Authors:Khare, G, Gupta, V, Nangpal, P, Gupta, R.K, Sauter, N.K, Tyagi, A.K.
Deposit date:2011-01-18
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ferritin Structure from Mycobacterium tuberculosis: Comparative Study with Homologues Identifies Extended C-Terminus Involved in Ferroxidase Activity
Plos One, 6, 2011
3QCH
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Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
Descriptor: 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide, 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 (2.4 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
3QCX
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Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, 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:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QGM
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BU of 3qgm by Molmil
p-nitrophenyl phosphatase from Archaeoglobus fulgidus
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, p-nitrophenyl phosphatase (Pho2)
Authors:Osipiuk, J, Zheng, H, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-01-24
Release date:2011-02-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:p-nitrophenyl phosphatase from Archaeoglobus fulgidus.
To be Published
3QDE
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BU of 3qde by Molmil
The structure of Cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate
Descriptor: Cellobiose phosphorylase, PHOSPHATE ION, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
Authors:Bianchetti, C.M, Elsen, N.L, Horn, M.K, Fox, B.G, Phillips Jr, G.N.
Deposit date:2011-01-18
Release date:2011-11-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate.
Acta Crystallogr.,Sect.F, 67, 2011
3QF6
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BU of 3qf6 by Molmil
Neutron structure of type-III Antifreeze Protein allows the reconstruction of AFP-ice interface
Descriptor: Type-3 ice-structuring protein HPLC 12
Authors:Howard, E.I, Blakeley, M.P, Haertlein, M, Petit-Haertlein, I, Mitschler, A, Fisher, S.J, Cousido-Siah, A, Salvay, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A.
Deposit date:2011-01-21
Release date:2011-06-22
Last modified:2024-03-20
Method:NEUTRON DIFFRACTION (1.85 Å)
Cite:Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface.
J.Mol.Recognit., 24, 2011
3QGF
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BU of 3qgf 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-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}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-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}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 (2.45 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
3QIA
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BU of 3qia by Molmil
Crystal structure of P-loop G237A 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:2011-01-26
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
3QJ8
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BU of 3qj8 by Molmil
Crystal structure of fatty acid amide hydrolase
Descriptor: 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 (2.9 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QLZ
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Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine (UCP130B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QMB
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Structural Basis of Selective Binding of Nonmethylated CpG Islands by the CXXC Domain of CFP1
Descriptor: 5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3', CALCIUM ION, CpG-binding protein, ...
Authors:Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-02-04
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
3QMQ
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Crystal Structure of E. coli LsrG
Descriptor: Autoinducer-2 (AI-2) modifying protein LsrG
Authors:Miller, S.T, Russell, C.
Deposit date:2011-02-04
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Processing the Interspecies Quorum-sensing Signal Autoinducer-2 (AI-2): CHARACTERIZATION OF PHOSPHO-(S)-4,5-DIHYDROXY-2,3-PENTANEDIONE ISOMERIZATION BY LsrG PROTEIN.
J.Biol.Chem., 286, 2011
3QNQ
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Crystal structure of the transporter ChbC, the IIC component from the N,N'-diacetylchitobiose-specific phosphotransferase system
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, PTS system, ...
Authors:Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2011-02-08
Release date:2011-04-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.295 Å)
Cite:Crystal structure of a phosphorylation-coupled saccharide transporter.
Nature, 473, 2011
3QO0
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Monoclinic form of IgG1 Fab fragment (in complex with antigenic 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-Bove, A, Buschiazzo, A.
Deposit date:2011-02-09
Release date:2012-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of human IGA1 and IGG1 fab fragments sharing the same variable domains
To be published
3QPY
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Crystal structure of a mutant (K57A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
Authors:Allison, T.M, Jameson, G.B, Parker, E.J.
Deposit date:2011-02-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
3QR0
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Crystal Structure of S. officinalis PLC21
Descriptor: CALCIUM ION, GLYCEROL, phospholipase C-beta (PLC-beta)
Authors:Lyon, A.M, Northup, J.K, Tesmer, J.J.G.
Deposit date:2011-02-16
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An autoinhibitory helix in the C-terminal region of phospholipase C-beta mediates Galphaq activation.
Nat.Struct.Mol.Biol., 18, 2011
3Q6I
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Crystal structure of FabG4 and coenzyme binary complex
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-01-01
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of holoFabG4
To be Published
3QXR
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Crystal structure of the brominated CKIT-1 proto-oncogene promoter quadruplex DNA
Descriptor: 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*(BRU)P*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION
Authors:Wei, D, Parkinson, G.N, Neidle, S.
Deposit date:2011-03-02
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of a c-kit promoter quadruplex reveals the structural role of metal ions and water molecules in maintaining loop conformation.
Nucleic Acids Res., 40, 2012
3QPZ
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Crystal structure of the N59A mutant of the 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
Authors:Allison, T.M, Jameson, G.B, Parker, E.J, Cochrane, F.C.
Deposit date:2011-02-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011

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