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PDB: 5628 件

2GZV
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BU of 2gzv by Molmil
The cystal structure of the PDZ domain of human PICK1
分子名称: PRKCA-binding protein
著者Debreczeni, J.E, Elkins, J.M, Yang, X, Berridge, G, Bray, J, Colebrook, S, Smee, C, Savitsky, P, Gileadi, O, Turnbull, A, von Delft, F, Doyle, D.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
登録日2006-05-12
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
1OSV
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BU of 1osv by Molmil
STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR
分子名称: 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile acid receptor, Nuclear receptor coactivator 2
著者Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F.
登録日2003-03-20
公開日2004-03-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
3DFH
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BU of 3dfh by Molmil
crystal structure of putative mandelate racemase / muconate lactonizing enzyme from Vibrionales bacterium SWAT-3
分子名称: SODIUM ION, mandelate racemase
著者Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-06-12
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献crystal structure of putative mandelate racemase / muconate lactonizing enzyme from Vibrionales bacterium SWAT-3
To be Published
3RDA
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BU of 3rda by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 3-methyl-1,2-oxazol-5-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-04-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
2H48
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Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-05-23
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
4DQY
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BU of 4dqy by Molmil
Structure of Human PARP-1 bound to a DNA double strand break
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ...
著者Langelier, M.F, Pascal, J.M.
登録日2012-02-16
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural basis for DNA damage-dependent poly(ADP-ribosyl)ation by human PARP-1.
Science, 336, 2012
1RKY
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BU of 1rky by Molmil
PPLO + Xe
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Guss, J.M, Duff, A.P.
登録日2003-11-24
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Using Xenon as a Probe for Dioxygen-binding Sites in Copper Amine Oxidases
J.Mol.Biol., 344, 2004
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
2H54
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Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-05-25
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
3GAM
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BU of 3gam by Molmil
Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity
分子名称: 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sturdy, M, Pegan, S.D, Maiti, A, Marler, L, Mesecar, A.D, Pezzuto, J.M, Cushman, M.
登録日2009-02-17
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities.
J.Med.Chem., 52, 2009
2H72
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Crystal Structure of Thioredoxin mutant E85D in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Thioredoxin mutant E85D in Hexagonal (p61) Space Group
To be Published
1RQY
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BU of 1rqy by Molmil
9-amino-[N-(2-dimethylamino)proply]-acridine-4-carboxamide bound to d(CGTACG)2
分子名称: 5'-D(CP*GP*TP*AP*CP*G)-3', 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, ...
著者Adams, A, Guss, J.M, Denny, W.A, Wakelin, L.P.
登録日2003-12-07
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of 9-amino-[N-(2-dimethylamino)propyl]acridine-4-carboxamide bound to d(CGTACG)(2): a comparison of structures of d(CGTACG)(2) complexed with intercalatorsin the presence of cobalt.
Acta Crystallogr.,Sect.D, 60, 2004
1P4Z
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BU of 1p4z by Molmil
Effect of Sequence on the Conformational Geometry of DNA Holliday Junctions
分子名称: 5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3', SODIUM ION
著者Hays, F.A, Vargason, J.M, Ho, P.S.
登録日2003-04-24
公開日2003-09-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effect of Sequence on the Conformation of DNA Holliday Junctions
Biochemistry, 42, 2003
3DLS
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BU of 3dls by Molmil
Crystal structure of human PAS kinase bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PAS domain-containing serine/threonine-protein kinase
著者Antonysamy, S, Bonanno, J.B, Romero, R, Russell, M, Iizuka, M, Gheyi, T, Wasserman, S.R, Rutter, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-06-29
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation.
J.Biol.Chem., 285, 2010
1RRY
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BU of 1rry by Molmil
DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine
分子名称: 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase
著者Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1P33
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BU of 1p33 by Molmil
Pteridine reductase from Leishmania tarentolae complex with NADPH and MTX
分子名称: METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Zhao, H, Bray, T, Ouellette, M, Zhao, M, Ferre, R.A, Matthews, D, Whiteley, J.M, Varughese, K.I.
登録日2003-04-16
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structure of pteridine reductase (PTR1) from Leishmania tarentolae.
Acta Crystallogr.,Sect.D, 59, 2003
3GD7
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Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
分子名称: Fusion complex of Cystic fibrosis transmembrane conductance regulator, residues 1193-1427 and Maltose/maltodextrin import ATP-binding protein malK, residues 219-371, ...
著者Atwell, S, Antonysamy, S, Conners, K, Emtage, S, Gheyi, T, Lewis, H.A, Lu, F, Sauder, J.M, Wasserman, S.R, Zhao, X.
登録日2009-02-23
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
To be Published
3DOU
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BU of 3dou by Molmil
Crystal structure of methyltransferase involved in cell division from thermoplasma volcanicum gss1
分子名称: Ribosomal RNA large subunit methyltransferase J, S-ADENOSYLMETHIONINE
著者Patskovsky, Y, Ozyurt, S, Dickey, M, Hu, S, Bain, K, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-07-06
公開日2008-09-02
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Methyltransferase Involved in Cell Division from Thermoplasma Volcanicum
To be Published
3GG2
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Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate
分子名称: Sugar dehydrogenase, UDP-glucose/GDP-mannose dehydrogenase family, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
著者Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-27
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate
To be Published
2GJ5
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Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin
分子名称: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Beta-lactoglobulin
著者Yang, M.C, Guan, H.H, Liu, M.Y, Yang, J.M, Chen, W.L, Chen, C.J, Mao, S.J.
登録日2006-03-30
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin.
Proteins, 71, 2008
3DUP
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Crystal structure of mutt/nudix family hydrolase from rhodospirillum rubrum atcc 11170
分子名称: GLYCEROL, MutT/nudix family protein, PHOSPHATE ION
著者Patskovsky, Y, Ramagopal, U.A, Toro, R, Freeman, J, Chang, S, Groshong, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-07-17
公開日2008-09-02
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Mutt/Nudix Family Hydrolase from Rhodospirillum Rubrum
To be Published
2GL0
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BU of 2gl0 by Molmil
Structure of PAE2307 in complex with adenosine
分子名称: ADENOSINE, PHOSPHATE ION, conserved hypothetical protein
著者Lott, J.S, Paget, B, Johnston, J.M, Baker, E.N.
登録日2006-04-04
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Structure of an Ancient Conserved Domain Establishes a Structural Basis for Stable Histidine Phosphorylation and Identifies a New Family of Adenosine-specific Kinases.
J.Biol.Chem., 281, 2006
3G79
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Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1
分子名称: NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase
著者Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-09
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1
To be Published
1RHT
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BU of 1rht by Molmil
24-MER RNA HAIRPIN COAT PROTEIN BINDING SITE FOR BACTERIOPHAGE R17 (NMR, MINIMIZED AVERAGE STRUCTURE)
分子名称: RNA (5'-R(P*GP*GP*GP*AP*CP*UP*GP*AP*CP*GP*AP*UP*CP*AP*CP*GP*CP*AP*GP*UP*CP*UP*AP*U)-3')
著者Borer, P.N, Lin, Y, Wang, S, Roggenbuck, M.W, Gott, J.M, Uhlenbeck, O.C, Pelczer, I.
登録日1995-03-03
公開日1995-06-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Proton NMR and structural features of a 24-nucleotide RNA hairpin.
Biochemistry, 34, 1995
4DFY
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Crystal structure of R194A mutant of cAMP-dependent protein kinase with unphosphorylated activation loop
分子名称: cAMP-dependent protein kinase catalytic subunit alpha
著者Steichen, J.M, Kuchinskas, M, Yang, J, Taylor, S.S.
登録日2012-01-24
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Structural basis for the regulation of protein kinase a by activation loop phosphorylation.
J.Biol.Chem., 287, 2012

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