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3IJH
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BU of 3ijh by Molmil
Structure of S67-27 in Complex with Ko
Descriptor: Immunoglobulin heavy chain (IGG3), Immunoglobulin light chain (IGG3), MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Evans, S.V.
Deposit date:2009-08-04
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of CDR H3 in antibody recognition of a synthetic analog of a lipopolysaccharide antigen.
Glycobiology, 20, 2010
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-08-05
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
3IK6
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BU of 3ik6 by Molmil
Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, chlorothiazide
Descriptor: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Ptak, C.P, Ahmed, A.H, Oswald, R.E.
Deposit date:2009-08-05
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Probing the allosteric modulator binding site of GluR2 with thiazide derivatives
Biochemistry, 48, 2009
3ILI
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BU of 3ili by Molmil
Crystal structure of E. coli HPPK(D95A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-08-07
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
3ILR
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BU of 3ilr by Molmil
Structure of Heparinase I from Bacteroides thetaiotaomicron in complex with tetrasaccharide product
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(4-1)-4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid, 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ...
Authors:Garron, M.L, Cygler, M, Shaya, D.
Deposit date:2009-08-07
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural snapshots of heparin depolymerization by heparin lyase I.
J.Biol.Chem., 284, 2009
3IMS
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BU of 3ims by Molmil
Transthyretin in complex with 2,6-dibromo-4-(2,6-dichlorophenethyl)phenol
Descriptor: 2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2009-08-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
3ILZ
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BU of 3ilz by Molmil
Structure of TR-alfa bound to selective thyromimetic GC-1 in P212121 space group
Descriptor: Thyroid hormone receptor, alpha isoform 1 variant, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
Authors:Aparicio, R, Polikarpov, L, Bleicher, L.
Deposit date:2009-08-07
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
Bmc Struct.Biol., 8, 2008
3IM9
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BU of 3im9 by Molmil
Crystal structure of MCAT from Staphylococcus aureus
Descriptor: ACETATE ION, CALCIUM ION, Malonyl CoA-acyl carrier protein transacylase, ...
Authors:Hong, S.K, Kim, K.H, Park, J.K, Kim, Y.M, Kim, E.E.
Deposit date:2009-08-10
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:New design platform for malonyl-CoA-acyl carrier protein transacylase
Febs Lett., 584, 2010
3IOI
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BU of 3ioi by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (1GW)
Descriptor: 5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DIPHOSPHATE-ALPHA-D-GALACTOSE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Pesnot, T, Jorgensen, R, Palcic, M.M, Wagner, G.K.
Deposit date:2009-08-14
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and mechanistic basis for a new mode of glycosyltransferase inhibition.
Nat.Chem.Biol., 6, 2010
3IOY
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BU of 3ioy by Molmil
Structure of putative short-chain dehydrogenase (Saro_0793) from Novosphingobium aromaticivorans
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Ramagopal, U.A, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-15
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of putative short-chain dehydrogenase (Saro_0793) from Novosphingobium aromaticivorans
To be published
3IPP
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BU of 3ipp by Molmil
crystal structure of sulfur-free YnjE
Descriptor: GLYCEROL, PHOSPHATE ION, Putative thiosulfate sulfurtransferase ynjE, ...
Authors:Haenzelmann, P, Kuper, J, Schindelin, H.
Deposit date:2009-08-18
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of YnjE from Escherichia coli, a sulfurtransferase with three rhodanese domains.
Protein Sci., 18, 2009
3IQP
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BU of 3iqp by Molmil
SAM-I riboswitch from T. tencongensis variant A94G apo form
Descriptor: BARIUM ION, SAM-I riboswitch
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-08-20
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
3IP0
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BU of 3ip0 by Molmil
Crystal structure of E. coli HPPK in complex with MgAMPCPP and 6-hydroxymethylpterin/6-carboxypterin
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-CARBOXYPTERIN, 6-HYDROXYMETHYLPTERIN, ...
Authors:Blaszczyk, J, Ji, X.
Deposit date:2009-08-15
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Dynamic roles of arginine residues 82 and 92 of Escherichia coli 6-hydroxymethyl-7,8-dihydroptein pyrophosphokinase: Crystallographic studies
Biochemistry, 42, 2003
3IVH
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BU of 3ivh by Molmil
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
Descriptor: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
Authors:Pan, H.
Deposit date:2009-09-01
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
3IVS
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BU of 3ivs by Molmil
Homocitrate Synthase Lys4
Descriptor: COBALT (II) ION, Homocitrate synthase, mitochondrial, ...
Authors:Bulfer, S.L, Scott, E.M, Couture, J.-F, Pillus, L, Trievel, R.C.
Deposit date:2009-09-01
Release date:2009-09-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure and functional analysis of homocitrate synthase, an essential enzyme in lysine biosynthesis.
J.Biol.Chem., 284, 2009
3ISF
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BU of 3isf by Molmil
Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A Resolution
Descriptor: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
Deposit date:2009-08-25
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
3I72
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BU of 3i72 by Molmil
Structural characterization for the nucleotide binding ability of subunit A with SO4 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, Gruber, G.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.47 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
3I7D
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BU of 3i7d by Molmil
Crystal structure of sugar phosphate isomerase from a cupin superfamily SPO2919 from Silicibacter pomeroyi (YP_168127.1) from SILICIBACTER POMEROYI DSS-3 at 2.30 A resolution
Descriptor: ACETATE ION, CACODYLATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-07-08
Release date:2009-07-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of sugar phosphate isomerase from a cupin superfamily SPO2919 from Silicibacter pomeroyi (YP_168127.1) from SILICIBACTER POMEROYI DSS-3 at 2.30 A resolution
To be published
3I8P
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BU of 3i8p by Molmil
Crystal structure of E. coli FabF(C163A) in complex with Platensimycin A1
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Platensimycin A1
Authors:Soisson, S.M, Parthsarathy, G.
Deposit date:2009-07-09
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
3I80
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BU of 3i80 by Molmil
Protein Tyrosine Phosphatase 1B - Transition state analog for the second catalytic step
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:2009-07-09
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps.
J.Biol.Chem., 285, 2010
3I96
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BU of 3i96 by Molmil
Ethanolamine Utilization Microcompartment Shell Subunit, EutS
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Ethanolamine utilization protein eutS, ...
Authors:Tanaka, S, Sawaya, M.R, Yeates, T.O.
Deposit date:2009-07-10
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Mechanisms of a Protein-Based Organelle in Escherichia coli.
Science, 327, 2010
3I9G
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BU of 3i9g by Molmil
Crystal structure of the LT1009 (SONEPCIZUMAB) antibody Fab fragment in complex with sphingosine-1-phosphate
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ...
Authors:Huxford, T.
Deposit date:2009-07-10
Release date:2009-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of sphingosine-1-phosphate in complex with a Fab fragment reveals metal bridging of an antibody and its antigen.
Proc.Natl.Acad.Sci.USA, 106, 2009
3I9V
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BU of 3i9v by Molmil
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU
Descriptor: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Sazanov, L.A, Berrisford, J.M.
Deposit date:2009-07-13
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009
3I9Y
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BU of 3i9y by Molmil
Crystal structure of the V. parahaemolyticus histidine kinase sensor TorS sensor domain
Descriptor: Sensor protein
Authors:Moore, J.O, Hendrickson, W.A.
Deposit date:2009-07-13
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural analysis of sensor domains from the TMAO-responsive histidine kinase receptor TorS
Structure, 17, 2009
3IBO
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BU of 3ibo by Molmil
Pseudomonas aeruginosa E2Q/H83Q/T126H-azurin RE(PHEN)(CO)3
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Gradinaru, C, Crane, B.R, Sudhamsu, J.
Deposit date:2009-07-16
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Relaxation dynamics of Pseudomonas aeruginosa Re(I)(CO)3(alpha-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)Cu(II) azurins.
J.Am.Chem.Soc., 131, 2009

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