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3TYC
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Dihydropteroate Synthase in complex with DHP+
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TL5
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BU of 3tl5 by Molmil
Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer
分子名称: (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2011-08-29
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.788 Å)
主引用文献Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.
J.Med.Chem., 54, 2011
3TLT
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BU of 3tlt by Molmil
The GLIC pentameric Ligand-Gated Ion Channel H11'F mutant in a locally-closed conformation (LC1 subtype)
分子名称: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
著者Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
登録日2011-08-30
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3TNB
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BU of 3tnb by Molmil
Crystal structure of GkaP mutant G209D/R230H from Geobacillus kaustophilus HTA426
分子名称: COBALT (II) ION, Phosphotriesterase
著者An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G.
登録日2011-09-01
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
3TP8
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Crystal structure of Staphylococcal nuclease variant Delta+PHS L36E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2011-09-07
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS L36E at cryogenic temperature
To be Published
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
著者Bale, J.B, Shen, B.W, Stoddard, B.L.
登録日2011-09-29
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
3TQ4
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BU of 3tq4 by Molmil
Crystal structure of M-PMV dUTPase with a mixed population of substrate (dUPNPP) and post-inversion product (dUMP) in the active sites
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Barabas, O, Nemeth, V, Vertessy, B.G.
登録日2011-09-09
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3TQV
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Structure of the nicotinate-nucleotide pyrophosphorylase from Francisella tularensis.
分子名称: Nicotinate-nucleotide pyrophosphorylase, PHOSPHATE ION
著者Rudolph, M, Cheung, J, Franklin, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Plos One, 8, 2013
3TRG
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BU of 3trg by Molmil
Structure of an acylphosphatase from Coxiella burnetii
分子名称: 1,2-ETHANEDIOL, Acylphosphatase, CHLORIDE ION
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-10-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3U4W
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BU of 3u4w by Molmil
Src in complex with DNA-templated macrocyclic inhibitor MC4b
分子名称: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
著者Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M.
登録日2011-10-10
公開日2012-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
3U62
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BU of 3u62 by Molmil
Crystal structure of shikimate dehydrogenase from Thermotoga maritima
分子名称: SULFATE ION, Shikimate dehydrogenase
著者Lee, H.H.
登録日2011-10-12
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of shikimate dehydrogenase from Thermotoga maritima
to be published
3TTU
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BU of 3ttu by Molmil
Structure of F413Y/H128N double variant of E. coli KatE
分子名称: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
著者Loewen, P.C, Jha, V.
登録日2011-09-15
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage.
Arch.Biochem.Biophys., 525, 2012
3TV8
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BU of 3tv8 by Molmil
Pharmacological Chaperoning in Human alpha-Galactosidase
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ...
著者Rogich, J.J, Guce, A.I, Clark, N.E, Garman, S.C.
登録日2011-09-19
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Chem.Biol., 18, 2011
3TW4
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BU of 3tw4 by Molmil
Crystal Structure of Human Septin 7 GTPase Domain
分子名称: GUANOSINE-5'-DIPHOSPHATE, Septin-7
著者Serrao, V.H.B, Alessandro, F, Pereira, H.M, Thiemann, O.T, Garratt, R.C.
登録日2011-09-21
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Promiscuous interactions of human septins: The GTP binding domain of SEPT7 forms filaments within the crystal.
Febs Lett., 585, 2011
3TWE
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BU of 3twe by Molmil
Crystal Structure of the de novo designed peptide alpha4H
分子名称: ACETYL GROUP, TRIETHYLENE GLYCOL, alpha4H
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2011-09-21
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TWG
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Crystal structure of the de novo designed fluorinated peptide alpha4F3af3d
分子名称: alpha4F3af3d
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2011-09-21
公開日2012-03-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3U8I
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BU of 3u8i by Molmil
Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
分子名称: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
著者Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
登録日2011-10-17
公開日2012-10-17
最終更新日2013-06-12
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
3TY1
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Crystal structure of a putative aldose 1-epimerase (KPN_04629) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.90 A resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-09-23
公開日2011-12-28
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a Hypothetical aldose 1-epimerase (KPN_04629) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.90 A resolution
To be published
3U96
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Crystal Structure of YopHQ357F(Catalytic Domain, Residues 163-468) in complex with pNCS
分子名称: N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM, SULFATE ION, Tyrosine-protein phosphatase yopH
著者Ho, M.C, Ke, S.
登録日2011-10-17
公開日2012-08-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Investigation of catalytic loop structure, dynamics, and function relationship of Yersinia protein tyrosine phosphatase by temperature-jump relaxation spectroscopy and X-ray structural determination.
J.Phys.Chem.B, 116, 2012
3TZT
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BU of 3tzt by Molmil
The structure of a protein in glycosyl transferase family 8 from Anaerococcus prevotii.
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Glycosyl transferase family 8
著者Cuff, M.E, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-09-27
公開日2011-12-07
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of a protein in glycosyl transferase family 8 from Anaerococcus prevotii.
TO BE PUBLISHED
3U2G
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Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein
分子名称: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
著者Chan, S, Phan, T, Ahn, C.J, Shin, A, Rohlin, L, Gunsalus, R.P, Arbing, M.A.
登録日2011-10-03
公開日2012-07-04
最終更新日2012-08-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans.
Proc.Natl.Acad.Sci.USA, 109, 2012
3U31
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Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ...
著者Zhou, Y, Hao, Q.
登録日2011-10-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
3U3A
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structure of Human Carbonic Anhydrase II V143I
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者West, D, Mckenna, R.
登録日2011-10-05
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structural Analysis of Human Carbonic Anhydrase II Binding Pocket
To be Published
3U3J
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Crystal structure of hSULT1A1 bound to PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1
著者Guttman, C, Berger, I, Aharoni, A, Zarivach, R.
登録日2011-10-06
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
3U41
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Crystal structure of Escherichia coli DmsD in space group P212121
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stevens, C.M, Paetzel, M.
登録日2011-10-06
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献

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