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3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
3SRV
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BU of 3srv by Molmil
Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor
分子名称: 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M.
登録日2011-07-07
公開日2011-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
3SPR
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BU of 3spr by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-03
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
3SS7
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BU of 3ss7 by Molmil
Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.55 A resolution
分子名称: D-serine dehydratase, GLYCEROL, POTASSIUM ION, ...
著者Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D.
登録日2011-07-07
公開日2012-01-18
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
3SSE
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BU of 3sse by Molmil
DNA binding domain of restriction endonuclease bound to DNA
分子名称: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*A*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), DNA (5'-D(*T*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3')
著者Sukackaite, R, Grazulis, S, Siksnys, V.
登録日2011-07-08
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The recognition domain of the methyl-specific endonuclease McrBC flips out 5-methylcytosine.
Nucleic Acids Res., 40, 2012
3SSL
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BU of 3ssl by Molmil
Engineered high-affinity halide-binding protein derived from YFP: iodide complex
分子名称: Green fluorescent protein, IODIDE ION
著者Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
登録日2011-07-08
公開日2012-07-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be published
3SQO
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BU of 3sqo by Molmil
PCSK9 J16 Fab complex
分子名称: J16 Heavy chain, J16 Light chain, PCSK9 prodomain, ...
著者Strop, P.
登録日2011-07-05
公開日2012-05-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Proprotein convertase substilisin/kexin type 9 antagonism reduces low-density lipoprotein cholesterol in statin-treated hypercholesterolemic nonhuman primates.
J.Pharmacol.Exp.Ther., 340, 2012
3SSY
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BU of 3ssy by Molmil
Engineered low-affinity halide-binding protein derived from YFP: iodide complex
分子名称: Green fluorescent protein, IODIDE ION
著者Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
登録日2011-07-08
公開日2012-07-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3STM
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BU of 3stm by Molmil
Structure of human LFABP in complex with one molecule of palmitic acid
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Sharma, A, Sharma, A.
登録日2011-07-11
公開日2011-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
3STV
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BU of 3stv by Molmil
Crystal Structure of tomato Methylketone Synthase I complexed with 3-hydroxyoctanoate
分子名称: (3S)-3-hydroxyoctanoic acid, BROMIDE ION, Methylketone synthase 1
著者Auldridge, M.E, Austin, M.B, Noel, J.P.
登録日2011-07-11
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
Plant Cell, 24, 2012
3SSA
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BU of 3ssa by Molmil
Crystal structure of subunit B mutant N157T of the A1AO ATP synthase
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sundararaman, L, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G.
登録日2011-07-08
公開日2012-09-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase
To be Published
3SSX
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BU of 3ssx by Molmil
E. coli trp aporeporessor L75F mutant
分子名称: TRIS(HYDROXYETHYL)AMINOMETHANE, Trp operon repressor
著者Benoff, B, Carey, J, Berman, H.M, Lawson, C.L.
登録日2011-07-08
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5801 Å)
主引用文献Environment-dependent long-range structural distortion in a temperature-sensitive point mutant.
Protein Sci., 21, 2012
3SV9
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BU of 3sv9 by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, NS3 protease, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-12
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SY0
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BU of 3sy0 by Molmil
S25-2- A(2-8)-A(2-4)KDO trisaccharide complex
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) heavy chain, ...
著者Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V.
登録日2011-07-15
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.489 Å)
主引用文献Germline antibody recognition of distinct carbohydrate epitopes
NAT.STRUCT.BIOL., 10, 2003
3SYK
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BU of 3syk by Molmil
Crystal structure of the AAA+ protein CbbX, selenomethionine structure
分子名称: Protein CbbX, SULFATE ION
著者Mueller-Cajar, O, Stotz, M, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
登録日2011-07-18
公開日2011-11-09
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structure and function of the AAA+ protein CbbX, a red-type Rubisco activase.
Nature, 479, 2011
3SXC
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BU of 3sxc by Molmil
Crystal structure of BBBB+UDP+Gal with Glycerol as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXK
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BU of 3sxk by Molmil
Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
分子名称: BICARBONATE ION, SULFATE ION, Transcriptional regulator, ...
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
To be Published
3SZ3
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BU of 3sz3 by Molmil
Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan
分子名称: GLYCEROL, TRYPTOPHAN, Tryptophanyl-tRNA synthetase
著者Cooper, D.R, Kudritska, M, Chruszcz, M, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan
To be Published
3T0P
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BU of 3t0p by Molmil
Crystal structure of a Putative DNA polymerase III beta subunit (EUBREC_0002; ERE_29750) from Eubacterium rectale ATCC 33656 at 2.26 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-07-20
公開日2011-08-10
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of a Putative DNA polymerase III beta subunit (EUBREC_0002; ERE_29750) from Eubacterium rectale ATCC 33656 at 2.26 A resolution
To be published
3SZZ
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BU of 3szz by Molmil
Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in complex with Acetate
分子名称: ACETATE ION, ZINC ION, phosphonoacetate hydrolase
著者Agarwal, V, Nair, S.K.
登録日2011-07-19
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Chem.Biol., 18, 2011
3T1D
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BU of 3t1d by Molmil
The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin
分子名称: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-07-21
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
3T0T
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BU of 3t0t by Molmil
Crystal structure of S. aureus Pyruvate Kinase
分子名称: N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase
著者Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
登録日2011-07-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Acs Chem.Biol., 7, 2012
3T29
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BU of 3t29 by Molmil
TMAO-grown trigonal trypsin (bovine)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Cahn, J, Venkat, M, Marshall, H, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2J
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BU of 3t2j by Molmil
Tetragonal thermolysin in the presence of betaine
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Cahn, J, Hti Lar Seng, N.S, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T48
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Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
分子名称: SCIN-D
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012

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件を2024-08-28に公開中

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