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3FCI
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Complex of UNG2 and a fragment-based designed inhibitor
分子名称: 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ...
著者Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
登録日2008-11-21
公開日2009-04-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
3FCO
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Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2008-11-21
公開日2009-12-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FN2
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Crystal structure of a putative sensor histidine kinase domain from Clostridium symbiosum ATCC 14940
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
著者Cuff, M.E, Tesar, C, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-12-23
公開日2009-01-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of a putative sensor histidine kinase domain from Clostridium symbiosum ATCC 14940
TO BE PUBLISHED
3FNC
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Crystal structure of a putative acetyltransferase from Listeria innocua
分子名称: 1,2-ETHANEDIOL, MALONATE ION, Putative acetyltransferase
著者Cuff, M.E, Tesar, C, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-12-24
公開日2009-01-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of a putative acetyltransferase from Listeria innocua.
TO BE PUBLISHED
3FEO
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The crystal structure of MBTD1
分子名称: MBT domain-containing protein 1
著者Amaya, M.F, Eryilmaz, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2008-11-30
公開日2009-01-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of a four-MBT repeat protein MBTD1.
Plos One, 4, 2009
3FNQ
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Crystal structure of schistosoma purine nucleoside phosphorylase in complex with hypoxanthine
分子名称: DIMETHYL SULFOXIDE, HYPOXANTHINE, Purine-nucleoside phosphorylase, ...
著者Castilho, M.S, Pereira, H.M, Garratt, R.C, Oliva, G.
登録日2008-12-26
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Adenosine binding to low-molecular-weight purine nucleoside phosphorylase: the structural basis for recognition based on its complex with the enzyme from Schistosoma mansoni.
Acta Crystallogr.,Sect.D, 66, 2010
3FF2
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Crystal structure of an uncharacterized cystatin fold protein (saro_2299) from novosphingobium aromaticivorans dsm at 1.90 A resolution
分子名称: ACETATE ION, uncharacterized cystatin fold protein (YP_497570.1) from NTF2 superfamily
著者Joint Center for Structural Genomics (JCSG)
登録日2008-12-01
公開日2008-12-16
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 uncharacterized cystatin fold protein (YP_497570.1) from NTF2 superfamily (YP_497570.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.90 A resolution
To be published
3FF9
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Structure of NK cell receptor KLRG1
分子名称: Killer cell lectin-like receptor subfamily G member 1
著者Li, Y, Mariuzza, R.A.
登録日2008-12-02
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
3FFG
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BU of 3ffg by Molmil
Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE
分子名称: (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one, Coagulation factor X, heavy chain, ...
著者Alexander, R.A.
登録日2008-12-03
公開日2009-12-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Phenyltriazolinones as potent factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3FOM
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Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide IQQSIERL
分子名称: 8 residue synthetic peptide, Beta-2-microglobulin, CHLORIDE ION, ...
著者Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P.
登録日2008-12-30
公開日2010-01-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect.
Int.Immunol., 22, 2010
3FFN
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Crystal structure of calcium-free human gelsolin
分子名称: Gelsolin
著者Chumnarnsilpa, S, Robinson, R.C, Burtnick, L.D.
登録日2008-12-04
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ca2+ binding by domain 2 plays a critical role in the activation and stabilization of gelsolin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FPE
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Crystal Structure of MtNAS in complex with thermonicotianamine
分子名称: BROMIDE ION, N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid, Putative uncharacterized protein
著者Dreyfus, C, Pignol, D, Arnoux, P.
登録日2009-01-05
公開日2009-10-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic snapshots of iterative substrate translocations during nicotianamine synthesis in Archaea
Proc.Natl.Acad.Sci.USA, 106, 2009
3FGS
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BU of 3fgs by Molmil
Crystal structure of G65R/K206E double mutant of the N-lobe human transferrin
分子名称: CARBONATE ION, FE (III) ION, Serotransferrin
著者Halbrooks, P.J, Mason, A.B, Everse, S.J.
登録日2008-12-08
公開日2009-05-19
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Consequences of the Substitution of Glycine 65 with Arginine in the N-Lobe of Human Transferrin.
Biochemistry, 48, 2009
3FPL
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Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of C. beijerinckii ADH by T. brockii ADH
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ...
著者Felix, F, Goihberg, E, Shimon, L, Burstein, Y.
登録日2009-01-05
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms
Biochemistry, 49, 2010
3FGW
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One chain form of the 66.3 kDa protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ...
著者Lakomek, K, Dickmanns, A, Ficner, R.
登録日2008-12-08
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography
Bmc Struct.Biol., 9, 2009
3FPZ
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Saccharomyces cerevisiae THI4p is a suicide thiamin thiazole synthase
分子名称: ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID, SULFATE ION, Thiazole biosynthetic enzyme
著者Bale, S, Chatterjee, A, Dorrestein, P.C, Begley, T.P, Ealick, S.E.
登録日2009-01-06
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Saccharomyces cerevisiae THI4p is a suicide thiamine thiazole synthase.
Nature, 478, 2011
3EXH
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Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3FI0
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Crystal Structure Analysis of B. stearothermophilus Tryptophanyl-tRNA Synthetase Complexed with Tryptophan, AMP, and Inorganic Phosphate
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, TRYPTOPHAN, ...
著者Laowanapiban, P, Kapustina, M, Vonrhein, C, Delarue, M, Koehl, P, Carter Jr, C.W.
登録日2008-12-10
公開日2009-02-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations.
Proc.Natl.Acad.Sci.Usa, 106, 2009
3F0U
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Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine
分子名称: 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
著者Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
登録日2008-10-26
公開日2009-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
3FM3
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Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2
分子名称: FE (III) ION, Methionine aminopeptidase 2, SULFATE ION
著者Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-19
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
3FMQ
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Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 with angiogenesis inhibitor fumagillin bound
分子名称: FE (III) ION, FUMAGILLIN, Methionine aminopeptidase 2, ...
著者Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-22
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
3F3Z
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Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804
分子名称: 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, Calcium/calmodulin-dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL
著者Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Cossar, D, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2008-10-31
公開日2008-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804
To be Published
3FNV
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Crystal Structure of Miner1: The Redox-active 2Fe-2S Protein Causative in Wolfram Syndrome 2
分子名称: CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER
著者Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L.
登録日2008-12-26
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2.
J.Mol.Biol., 392, 2009
3F5S
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CRYSTAL STRUCTURE OF putatitve short chain dehydrogenase from Shigella flexneri 2a str. 301
分子名称: 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2008-11-04
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献CRYSTAL STRUCTURE OF putatitve short chain dehydrogenase from Shigella flexneri 2a str. 301
To be Published
3FOB
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Crystal structure of bromoperoxidase from Bacillus anthracis
分子名称: Bromoperoxidase, CHLORIDE ION, SODIUM ION
著者Osipiuk, J, Gu, M, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-12-29
公開日2009-01-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献X-ray crystal structure of bromoperoxidase from Bacillus anthracis.
To be Published

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