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1Z29
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Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF)
分子名称: ACETIC ACID, ADENOSINE-3'-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W.
登録日2005-03-07
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2.
Biochem.Biophys.Res.Commun., 396, 2010
7JHW
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The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site and Cesium ion at the metal coordination site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Mueller, L.J, Dunn, M.F.
登録日2020-07-21
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site and Cesium ion at the metal coordination site.
To be Published
7JLL
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The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site.
To be Published
7JMQ
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The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-08-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7JTT
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BU of 7jtt by Molmil
The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-08-18
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
1Z28
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Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF)
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Phenol-sulfating phenol sulfotransferase 1
著者Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W.
登録日2005-03-07
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2.
Biochem.Biophys.Res.Commun., 396, 2010
2BQY
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Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter pylori-Kinetic and Structural Properties
分子名称: INORGANIC PYROPHOSPHATASE, PYROPHOSPHATE 2-
著者Chao, T.-C, Sun, Y.-J.
登録日2005-04-28
公開日2006-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic and Structural Properties of Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter Pylori.
Proteins, 65, 2006
2B3W
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NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24.
分子名称: Hypothetical protein ybiA
著者Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.Y, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2005-09-21
公開日2005-11-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24.
To be Published
2B6O
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Electron crystallographic structure of lens Aquaporin-0 (AQP0) (lens MIP) at 1.9A resolution, in a closed pore state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Lens fiber major intrinsic protein
著者Gonen, T, Cheng, Y, Sliz, P, Hiroaki, Y, Fujiyoshi, Y, Harrison, S.C, Walz, T.
登録日2005-10-03
公開日2005-12-06
最終更新日2023-08-23
実験手法ELECTRON CRYSTALLOGRAPHY (1.9 Å)
主引用文献Lipid-protein interactions in double-layered two-dimensional AQP0 crystals.
Nature, 438, 2005
7KL2
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Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, NMDA 2B
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
To Be Published
2CHM
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Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ...
著者Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W.
登録日2006-03-15
公開日2006-06-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability
J.Med.Chem., 49, 2006
2A3L
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X-Ray Structure of Adenosine 5'-Monophosphate Deaminase from Arabidopsis Thaliana in Complex with Coformycin 5'-Phosphate
分子名称: AMP deaminase, COFORMYCIN 5'-PHOSPHATE, PHOSPHATE ION, ...
著者Han, B.W, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2005-06-25
公開日2005-07-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1).
J.Biol.Chem., 281, 2006
3TNL
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1.45 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with Shikimate and NAD.
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-01
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with Shikimate and NAD.
TO BE PUBLISHED
3TOZ
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2.2 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with NAD.
分子名称: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-06
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献2.2 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with NAD.
TO BE PUBLISHED
4U69
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HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6T
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Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a at 1.76 Angstrom resolution
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ColH protein
著者Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E.
登録日2014-07-29
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
4U70
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HsMetAP (F309M) in complex with (1-amino-2-cyclohexylethyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U76
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HsMetAP (F309M) holo form
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6J
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HsMetAP in complex with methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-29
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6C
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HsMetAP in complex with [(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4UAI
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Crystal structure of CXCL12 in complex with inhibitor
分子名称: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
著者Smith, E.W, Chen, Y.
登録日2014-08-09
公開日2014-11-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
3TKF
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1.5 Angstrom Resolution Crystal Structure of K135M Mutant of Transaldolase B (TalA) from Francisella tularensis in Complex with Sedoheptulose 7-phosphate.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-08-26
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Adherence to Burgi-Dunitz stereochemical principles requires significant structural rearrangements in Schiff-base formation: insights from transaldolase complexes.
Acta Crystallogr.,Sect.D, 70, 2014
3TNO
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1.65 Angstrom Resolution Crystal Structure of Transaldolase B (TalA) from Francisella tularensis in Covalent Complex with Sedoheptulose-7-Phosphate
分子名称: CHLORIDE ION, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, Transaldolase
著者Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-01
公開日2011-09-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Adherence to Burgi-Dunitz stereochemical principles requires significant structural rearrangements in Schiff-base formation: insights from transaldolase complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4UBQ
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Crystal Structure of IMP-2 Metallo-beta-Lactamase from Acinetobacter spp.
分子名称: ACETATE ION, Beta-lactamase, ZINC ION
著者Yamaguchi, Y, Matsueda, S, Matsunaga, K, Takashio, N, Toma-Fukai, S, Yamagata, Y, Shibata, N, Wachino, J, Shibayama, K, Arakawa, Y, Kurosaki, H.
登録日2014-08-13
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of IMP-2 metallo-beta-lactamase from Acinetobacter spp.: comparison of active-site loop structures between IMP-1 and IMP-2.
Biol.Pharm.Bull., 38, 2015
4U73
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HsMetAP(F309M) IN COMPLEX WITH (amino(phenyl)methyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015

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