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5OA7
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with cyclopeptin (1b)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-06-21
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA8
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-06-21
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5NVP
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NMR assignment and structure of a peptide derived from the fusion peptide of HIV-1 gp41 in the presence of dodecylphosphocholine micelles
分子名称: Envelope glycoprotein,Gp41
著者Jimenez, M.A, Serrano, S, Nieva, J.L, Huarte, N.
登録日2017-05-04
公開日2017-12-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structure-Related Roles for the Conservation of the HIV-1 Fusion Peptide Sequence Revealed by Nuclear Magnetic Resonance.
Biochemistry, 56, 2017
5OLW
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5-fluorotryptophan labeled beta-phosphoglucomutase in an open conformation
分子名称: Beta-phosphoglucomutase, CALCIUM ION
著者Bowler, M.W, von Velsen, J.
登録日2017-07-28
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5ORO
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORR
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OLY
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5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, monoclinic crystal form
分子名称: 6-O-phosphono-alpha-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
著者Bowler, M.W, von Velsen, J.
登録日2017-07-28
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5OBH
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Crystal structure of glycine binding protein in complex with bicuculline
分子名称: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dawson, A, Hunter, W.N, Jones, M.
登録日2017-06-27
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels.
Chembiochem, 21, 2020
5ODT
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Aurora-A in complex with TACC3
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, GLYCEROL, ...
著者Burgess, S.G, Bayliss, R.
登録日2017-07-06
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Mitotic spindle association of TACC3 requires Aurora-A-dependent stabilization of a cryptic alpha-helix.
EMBO J., 37, 2018
5OJ0
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Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with Cefepime
分子名称: Cefepime, Penicillin-binding protein 2X
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-07-20
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
5OLX
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5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, orthorhomic crystal form
分子名称: 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
著者Bowler, M.W, von Velsen, J.
登録日2017-07-28
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5OS1
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OOO
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Structure of the Rift Valley fever virus NSs protein core domain
分子名称: Non-structural protein NS-S
著者Barski, M.S, Potter, J.A, Schwarz-Linek, U.
登録日2017-08-08
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rift Valley fever phlebovirus NSs protein core domain structure suggests molecular basis for nuclear filaments.
Elife, 6, 2017
5ORL
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORP
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BU of 5orp by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORX
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS6
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OSD
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-17
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
1NB2
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BU of 1nb2 by Molmil
Crystal Structure of Nucleoside Diphosphate Kinase from Bacillus Halodenitrificans
分子名称: Nucleoside Diphosphate Kinase
著者Chen, C.-J, Liu, M.-Y, Chang, W.-C, Chang, T, Wang, B.-C, Le Gall, J.
登録日2002-12-02
公開日2003-05-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a nucleoside diphosphate kinase from Bacillus halodenitrificans: coexpression of its activity with a Mn-superoxide dismutase.
J.Struct.Biol., 142, 2003
1N8U
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BU of 1n8u by Molmil
Chemosensory Protein in Complex with bromo-dodecanol
分子名称: BROMO-DODECANOL, chemosensory protein
著者Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C.
登録日2002-11-21
公開日2003-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
1NC5
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Structure of Protein of Unknown Function of YteR from Bacillus Subtilis
分子名称: hypothetical protein yTER
著者Zhang, R, Lozondra, L, Korolev, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-12-04
公開日2003-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.6 A crystal structure of YteR protein from Bacillus subtilis, a predicted lyase.
Proteins, 60, 2005
1O07
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BU of 1o07 by Molmil
Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG)
分子名称: 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION
著者Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S.
登録日2003-02-20
公開日2003-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins
J.Am.Chem.Soc., 125, 2003
1RC7
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Crystal structure of RNase III Mutant E110K from Aquifex Aeolicus complexed with ds-RNA at 2.15 Angstrom Resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3', Ribonuclease III
著者Blaszczyk, J, Gan, J, Ji, X.
登録日2003-11-03
公開日2004-03-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA.
Structure, 12, 2004
1PBW
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STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE
著者Musacchio, A, Cantley, L.C, Harrison, S.C.
登録日1996-10-17
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit.
Proc.Natl.Acad.Sci.USA, 93, 1996
1PQF
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Glycine 24 to Serine mutation of aspartate decarboxylase
分子名称: Aspartate 1-decarboxylase, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-18
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003

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