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3M1V
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BU of 3m1v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-05
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M67
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BU of 3m67 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-15
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3P3R
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BU of 3p3r by Molmil
Transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
Descriptor: (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2010-10-05
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
3PA5
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BU of 3pa5 by Molmil
X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
Descriptor: 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PB3
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BU of 3pb3 by Molmil
Structure of an Antibiotic Related Methyltransferase
Descriptor: 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Sivaraman, J, Husain, N.
Deposit date:2010-10-20
Release date:2010-11-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the methylation of A1408 in 16S rRNA by a panaminoglycoside resistance methyltransferase NpmA from a clinical isolate and analysis of the NpmA interactions with the 30S ribosomal subunit.
Nucleic Acids Res., 2010
3P5V
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BU of 3p5v by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
3P6F
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BU of 3p6f by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with (S)-3-phenyl butyric acid
Descriptor: (3S)-3-phenylbutanoic acid, Fatty acid-binding protein, adipocyte
Authors:Gonzalez, J.M, Pozharski, E.
Deposit date:2010-10-11
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3OMK
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BU of 3omk by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3P6P
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BU of 3p6p by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
Descriptor: (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
To be Published
3OO7
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BU of 3oo7 by Molmil
Crystal structures and biochemical characterization of the bacterial solute receptor AcbH reveal an unprecedented exclusive substrate preference for b-D-galactopyranose
Descriptor: ABC transporter binding protein AcbH, GLYCEROL, SULFATE ION
Authors:Vahedi-Faridi, A, Bulut, H, Licht, A.
Deposit date:2010-08-30
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose
J.Mol.Biol., 406, 2011
3P7W
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BU of 3p7w by Molmil
Radiation damage study of thermolysin - 160K structure D (7.1 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 160K structure D (7.1 MGy)
To be Published
3P94
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BU of 3p94 by Molmil
Crystal structure of a GDSL-like Lipase (BDI_0976) from Parabacteroides distasonis ATCC 8503 at 1.93 A resolution
Descriptor: GDSL-like Lipase, TETRAETHYLENE GLYCOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-10-15
Release date:2010-11-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of a GDSL-like Lipase (BDI_0976) from Parabacteroides distasonis ATCC 8503 at 1.93 A resolution
To be published
3OOL
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BU of 3ool by Molmil
I-SceI complexed with C/G+4 DNA substrate
Descriptor: 5'-D(*CP*AP*CP*GP*CP*TP*AP*GP*GP*GP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*AP*AP*TP*AP*C)-3', 5'-D(*GP*GP*TP*AP*TP*TP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*CP*CP*CP*TP*AP*GP*CP*GP*T)-3', CALCIUM ION, ...
Authors:Joshi, R, Chen, J.-H, Golden, B.L, Gimble, F.S.
Deposit date:2010-08-31
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of I-SceI Homing Endonucleases with Increased DNA Recognition Site Specificity.
J.Mol.Biol., 405, 2011
3P9Q
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BU of 3p9q by Molmil
Structure of I274C variant of E. coli KatE
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S, ...
Authors:Loewen, P.C, Jha, V, Louis, S, Chelikani, P, Carpena, X, Fita, I.
Deposit date:2010-10-18
Release date:2010-12-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Modulation of heme orientation and binding by a single residue in catalase HPII of Escherichia coli.
Biochemistry, 50, 2011
3OKO
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BU of 3oko by Molmil
Crystal structure of S25-39 in complex with Kdo(2.8)Kdo(2.4)Kdo
Descriptor: 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, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ...
Authors:Blackler, R.J, Evans, S.V.
Deposit date:2010-08-25
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
3OPW
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BU of 3opw by Molmil
Crystal Structure of the Rph1 catalytic core
Descriptor: DNA damage-responsive transcriptional repressor RPH1
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3OQF
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BU of 3oqf by Molmil
Crystal Structure Analysis of Renin-indole-piperazine inhibitor complexes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole, Renin
Authors:Bocskei, Z.
Deposit date:2010-09-03
Release date:2010-10-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OMS
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BU of 3oms by Molmil
Putative 3-demethylubiquinone-9 3-methyltransferase, PhnB protein, from Bacillus cereus.
Descriptor: 1,2-ETHANEDIOL, PhnB protein
Authors:Osipiuk, J, Li, H, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-27
Release date:2010-09-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of putative 3-demethylubiquinone-9 3-methyltransferase, PhnB protein, from Bacillus cereus.
To be Published
3OOX
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BU of 3oox by Molmil
Crystal structure of a putative 2OG-Fe(II) oxygenase family protein (CC_0200) from CAULOBACTER CRESCENTUS at 1.44 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, putative 2OG-Fe(II) oxygenase family protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-31
Release date:2010-12-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of a putative 2OG-Fe(II) oxygenase family protein (CC_0200) from CAULOBACTER CRESCENTUS at 1.44 A resolution
To be published
3OSO
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BU of 3oso by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
Deposit date:2010-09-09
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3OQB
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BU of 3oqb by Molmil
CRYSTAL STRUCTURE OF putative oxidoreductase from Bradyrhizobium japonicum USDA 110
Descriptor: Oxidoreductase
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-09-02
Release date:2010-09-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CRYSTAL STRUCTURE OF putative oxidoreductase from Bradyrhizobium japonicum USDA 110
To be Published
3OS7
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BU of 3os7 by Molmil
Crystal structure of a galactose mutarotase-like protein (CA_C0697) from CLOSTRIDIUM ACETOBUTYLICUM at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-08
Release date:2010-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a galactose mutarotase-like protein (CA_C0697) from CLOSTRIDIUM ACETOBUTYLICUM at 1.80 A resolution
To be published
3OTD
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BU of 3otd by Molmil
Crystal structure of human tRNAHis guanylyltransferase (Thg1)- NaI derivative
Descriptor: IODIDE ION, tRNA(His) guanylyltransferase
Authors:Hyde, S.J, Eckenroth, B.E, Doublie, S.
Deposit date:2010-09-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:tRNAHis guanylyltransferase (THG1), a unique 3'-5' nucleotidyl transferase, shares unexpected structural homology with canonical 5'-3' DNA polymerases.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OTN
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BU of 3otn by Molmil
Crystal structure of a SusD superfamily protein (BDI_3964) from Parabacteroides distasonis ATCC 8503 at 1.95 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-13
Release date:2010-11-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a SusD superfamily protein (BDI_3964) from Parabacteroides distasonis ATCC 8503 at 1.95 A resolution
To be published
3OV2
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BU of 3ov2 by Molmil
Curcumin synthase 1 from Curcuma longa
Descriptor: 1,2-ETHANEDIOL, Curcumin synthase, MALONATE ION
Authors:Katsuyama, Y, Miyazono, K, Tanokura, M, Ohnishi, Y, Horinouchi, S.
Deposit date:2010-09-15
Release date:2010-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A hydrophobic cavity discovered in a curcumin synthase facilitates utilization of a beta-keto acid as an extender substrate for the atypical type III polyleteide synthase
To be Published

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数据于2024-11-13公开中

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