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2Q6B
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BU of 2q6b by Molmil
Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
分子名称: (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-06-04
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3DEK
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BU of 3dek by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
2Q7A
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BU of 2q7a by Molmil
Crystal structure of the cell surface heme transfer protein Shp
分子名称: Cell surface heme-binding protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Aranda IV, R, Worley, C.E, Bitto, E, Phillips Jr, G.N.
登録日2007-06-06
公開日2007-09-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein Shp.
J.Mol.Biol., 374, 2007
3VEE
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BU of 3vee by Molmil
Rhodococcus jostii RHA1 DypB N246A variant in complex with heme
分子名称: CHLORIDE ION, DypB, FORMIC ACID, ...
著者Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P.
登録日2012-01-07
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
3TY3
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BU of 3ty3 by Molmil
Crystal structure of homoisocitrate dehydrogenase from Schizosaccharomyces pombe bound to glycyl-glycyl-glycine
分子名称: GLYCEROL, Probable homoisocitrate dehydrogenase, glycylglycylglycine
著者Bulfer, S.L, Hendershot, J.M, Trievel, R.C.
登録日2011-09-23
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of homoisocitrate dehydrogenase from Schizosaccharomyces pombe.
Proteins, 80, 2012
3VEW
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BU of 3vew by Molmil
Crystal structure of the O-carbamoyltransferase TobZ in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, FE (II) ION, O-carbamoyltransferase TobZ, ...
著者Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
登録日2012-01-09
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3DP4
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BU of 3dp4 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA
分子名称: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 3, ZINC ION
著者Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
登録日2008-07-07
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
2PXU
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BU of 2pxu by Molmil
Variant 16 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle
分子名称: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein
著者Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S.
登録日2007-05-14
公開日2007-08-07
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A General Strategy to Solve the Phase Problem in RNA Crystallography.
Structure, 15, 2007
3DHU
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BU of 3dhu by Molmil
Crystal structure of an alpha-amylase from Lactobacillus plantarum
分子名称: Alpha-amylase
著者Bonanno, J.B, Dickey, M, Bain, K.T, Iizuka, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-06-18
公開日2008-08-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of an alpha-amylase from Lactobacillus plantarum
To be Published
3U39
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BU of 3u39 by Molmil
Crystal Structure of the apo Bacillus Stearothermophilus phosphofructokinase
分子名称: 6-phosphofructokinase, CALCIUM ION
著者Mosser, R, Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
登録日2011-10-05
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7921 Å)
主引用文献Structure of the apo form of Bacillus stearothermophilus phosphofructokinase.
Biochemistry, 51, 2012
3U3R
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BU of 3u3r by Molmil
Crystal structure of D249G mutated Human SULT1A1 bound to PAP and P-NITROPHENOL
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, P-NITROPHENOL, 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2024-02-28
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
3DK7
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BU of 3dk7 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
分子名称: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
著者Lewis, H.A.
登録日2008-06-24
公開日2008-07-29
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
2Q68
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BU of 2q68 by Molmil
Crystal Structure of Nak channel D66A, S70E double mutants
分子名称: CALCIUM ION, Potassium channel protein, SODIUM ION
著者Alam, A, Shi, N, Jiang, Y.
登録日2007-06-04
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3U2H
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BU of 3u2h by Molmil
Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein
分子名称: GLYCEROL, S-layer protein MA0829
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2023-09-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans.
Proc.Natl.Acad.Sci.USA, 109, 2012
3DKL
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BU of 3dkl by Molmil
Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ...
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-25
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3U45
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BU of 3u45 by Molmil
Human Carbonic Anhydrase II V143A
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者West, D, Mckenna, R.
登録日2011-10-07
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structural Modification of the hydrophobic pocket in Human Carbonic Anhydrase II
To be Published
2Q6R
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BU of 2q6r by Molmil
Crystal structure of PPAR gamma complexed with partial agonist SF147
分子名称: 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q0G
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BU of 2q0g by Molmil
Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UPU
分子名称: CHLORIDE ION, MAGNESIUM ION, RNA uridylyl transferase, ...
著者Stagno, J, Luecke, H.
登録日2007-05-21
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3VSC
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BU of 3vsc by Molmil
Crystal Structure of the K127A Mutant of O-Phosphoserine Sulfhydrylase Complexed with External Schiff Base of Pyridoxal 5'-Phosphate with O-Phospho-L-Serine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHOSERINE, PYRIDOXAL-5'-PHOSPHATE, ...
著者Nakamura, T, Kawai, Y, Kataoka, M, Ishikawa, K.
登録日2012-04-24
公開日2012-05-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural analysis of the substrate recognition mechanism in O-phosphoserine sulfhydrylase from the hyperthermophilic archaeon Aeropyrum pernix K1
J.Mol.Biol., 422, 2012
3U4X
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BU of 3u4x by Molmil
Crystal structure of a lectin from Camptosema pedicellatum seeds in complex with 5-bromo-4-chloro-3-indolyl-alpha-D-mannose
分子名称: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Camptosema pedicellatum lectin (CPL), ...
著者Rocha, B.A.M, Teixeira, C.S, Moura, T.R, Silva, H.C, Pereira-Junior, F.N, Nagano, C.S, Delatorre, P, Cavada, B.S.
登録日2011-10-10
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of the lectin of Camptosema pedicellatum: implications of a conservative substitution at the hydrophobic subsite.
J.Biochem., 152, 2012
2Q87
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BU of 2q87 by Molmil
The Crystal Structure of the Human IRp60 Ectodomain
分子名称: CMRF35-H antigen
著者Dimasi, N, Marquez, J.A.
登録日2007-06-09
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of IRp60 Ectodomain
To be Published, 2007
3DTN
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BU of 3dtn by Molmil
Crystal structure of putative Methyltransferase-MM_2633 from Methanosarcina mazei .
分子名称: ACETATE ION, CALCIUM ION, Putative Methyltransferase MM_2633
著者Ramagopal, U.A, Toro, R, Meyer, A.J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-07-15
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of putative Methyltransferase-MM_2633 from Methanosarcina mazei
To be published
3U6H
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BU of 3u6h by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 26
分子名称: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3DUY
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BU of 3duy by Molmil
Crystal structure of human beta-secretase in complex with NVP-AFJ144
分子名称: (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2008-07-18
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2PXF
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BU of 2pxf by Molmil
Variant 5 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle
分子名称: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein
著者Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S.
登録日2007-05-14
公開日2007-08-07
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A General Strategy to Solve the Phase Problem in RNA Crystallography.
Structure, 15, 2007

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