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4FRP
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BU of 4frp by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 8.5 with MPD as the cryoprotectant
分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
登録日2012-06-26
公開日2013-12-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3O3W
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BU of 3o3w by Molmil
Crystal Structure of BH2092 protein (residues 14-131) from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR228A
分子名称: BH2092 protein
著者Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-07-26
公開日2010-09-01
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal Structure of BH2092 protein (residues 14-131) from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR228A
To be Published
4FES
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Structure of OSH4 in complex with cholesterol analogs
分子名称: (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one, Protein KES1
著者Koag, M.C, Monzingo, A.F, Cheun, Y, Lee, S.
登録日2012-05-30
公開日2013-06-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and structure of 16,22-diketocholesterol bound to oxysterol-binding protein Osh4.
Steroids, 78, 2013
4FHJ
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BU of 4fhj by Molmil
Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2
分子名称: 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Shaffer, P.L, Tang, J, Yakowec, P.
登録日2012-06-06
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3O18
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BU of 3o18 by Molmil
Crystal structure of c-phycocyanin from Themosynechococcus vulcanus at 1.35 angstroms resolution
分子名称: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN
著者Marx, A, David, L, Adir, N.
登録日2010-07-21
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High-resolution crystal structures of trimeric and rod phycocyanin.
J.Mol.Biol., 405, 2011
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
分子名称: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-14
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
3O2H
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BU of 3o2h by Molmil
E. coli ClpS in complex with a Leu N-end rule peptide
分子名称: ATP-dependent Clp protease adaptor protein ClpS, DNA protection during starvation protein
著者Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A, de Regt, A.
登録日2010-07-22
公開日2011-12-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The ClpS adaptor mediates staged delivery of N-end rule substrates to the AAA+ ClpAP protease.
Mol.Cell, 43, 2011
3O7A
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BU of 3o7a by Molmil
Crystal structure of PHF13 in complex with H3K4me3
分子名称: GLYCEROL, H3K4ME3 HISTONE 11MER-PEPTIDE, PHD finger protein 13 variant, ...
著者Bian, C.B, Lam, R, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-07-30
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
3O2O
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BU of 3o2o by Molmil
Structure of E. coli ClpS ring complex
分子名称: ATP-dependent Clp protease adaptor protein ClpS
著者Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A, de Regt, A.
登録日2010-07-22
公開日2011-12-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The ClpS adaptor mediates staged delivery of N-end rule substrates to the AAA+ ClpAP protease.
Mol.Cell, 43, 2011
4FPA
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BU of 4fpa by Molmil
Crystal Structure of recombinant human Hexokinase type I mutant D413N Glucose 6-Phosphate
分子名称: 6-O-phosphono-beta-D-glucopyranose, CITRIC ACID, Hexokinase-1, ...
著者Shen, L, Honzatko, R.B.
登録日2012-06-21
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献DETERMINATION OF SITE AFFINITY CONSTANTS FOR PRODUCT INHIBITION of WILD-TYPE AND MUTANT FORMS OF RECOMBINANT HUMAN HEXOKINASE TYPE I
To be Published
4FNW
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BU of 4fnw by Molmil
Crystal structure of the apo F1174L anaplastic lymphoma kinase catalytic domain
分子名称: ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FNZ
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BU of 4fnz by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with piperidine-carboxamide inhibitor 2
分子名称: (3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide, ALK tyrosine kinase receptor
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FO4
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BU of 4fo4 by Molmil
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed with IMP and mycophenolic acid
分子名称: INOSINIC ACID, Inosine 5'-monophosphate dehydrogenase, MYCOPHENOLIC ACID, ...
著者Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-06-20
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed with IMP and mycophenolic acid.
To be Published
3O75
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BU of 3o75 by Molmil
Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida in complex with fructose 1-phosphate'
分子名称: 1-O-phosphono-beta-D-fructofuranose, Fructose transport system repressor FruR
著者Chavarria, M, Santiago, C, Platero, R, Krell, T, Casasnovas, J.M, de Lorenzo, V.
登録日2010-07-30
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida
J.Biol.Chem., 286, 2011
4FE8
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BU of 4fe8 by Molmil
Crystal Structure of Htt36Q3H-EX1-X1-C1(Alpha)
分子名称: Maltose-binding periplasmic protein,Huntingtin, ZINC ION
著者Kim, M.
登録日2012-05-29
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues.
Prion, 7, 2013
4FHL
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BU of 4fhl by Molmil
Nucleoporin Nup37 from Schizosaccharomyces pombe
分子名称: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Bilokapic, S, Schwartz, T.U.
登録日2012-06-06
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis for Nup37 and ELY5/ELYS recruitment to the nuclear pore complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FMC
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BU of 4fmc by Molmil
EspG-Rab1 complex
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Shao, F, Zhu, Y.
登録日2012-06-16
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
4F62
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Crystal structure of a putative farnesyl-diphosphate synthase from Marinomonas sp. MED121 (Target EFI-501980)
分子名称: CHLORIDE ION, GLYCEROL, Geranyltranstransferase, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-05-14
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F75
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BU of 4f75 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
分子名称: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ...
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
To be Published
3NY5
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BU of 3ny5 by Molmil
Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens. Northeast Structural Genomics Consortium Target HR4694F
分子名称: Serine/threonine-protein kinase B-raf
著者Vorobiev, S, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-07-14
公開日2010-07-28
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens.
To be Published
4FDJ
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BU of 4fdj by Molmil
The molecular basis of mucopolysaccharidosis IV A, complex with GalNAc
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Rivera-Colon, Y, Garman, S.C.
登録日2012-05-28
公開日2012-09-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Structure of Human GALNS Reveals the Molecular Basis for Mucopolysaccharidosis IV A.
J.Mol.Biol., 423, 2012
3OBF
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Crystal structure of putative transcriptional regulator, IclR family; targeted domain 129...302
分子名称: Putative transcriptional regulator, IclR family
著者Chang, C, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-08-06
公開日2010-08-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of putative transcriptional regulator, IclR family; targeted domain 129...302
To be Published
4FE6
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Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease
著者Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H.
登録日2012-05-29
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4FEG
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High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A
分子名称: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K.
登録日2012-05-30
公開日2012-06-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FG6
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Structure of EcCLC E148A mutant in Glutamate
分子名称: Fab fragment (Heavy chain), Fab fragment (Light chain), H(+)/Cl(-) exchange transporter ClcA
著者Feng, L, MacKinnon, R.
登録日2012-06-04
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.019 Å)
主引用文献Molecular mechanism of proton transport in CLC Cl-/H+ exchange transporters.
Proc.Natl.Acad.Sci.USA, 109, 2012

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