5OA7
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![BU of 5oa7 by Molmil](/molmil-images/mine/5oa7) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with cyclopeptin (1b) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5OA8
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![BU of 5oa8 by Molmil](/molmil-images/mine/5oa8) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5NVP
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![BU of 5nvp by Molmil](/molmil-images/mine/5nvp) | NMR assignment and structure of a peptide derived from the fusion peptide of HIV-1 gp41 in the presence of dodecylphosphocholine micelles | Descriptor: | Envelope glycoprotein,Gp41 | Authors: | Jimenez, M.A, Serrano, S, Nieva, J.L, Huarte, N. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Structure-Related Roles for the Conservation of the HIV-1 Fusion Peptide Sequence Revealed by Nuclear Magnetic Resonance. Biochemistry, 56, 2017
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5OLW
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![BU of 5olw by Molmil](/molmil-images/mine/5olw) | |
5ORO
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![BU of 5oro by Molmil](/molmil-images/mine/5oro) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5ORR
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![BU of 5orr by Molmil](/molmil-images/mine/5orr) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OLY
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![BU of 5oly by Molmil](/molmil-images/mine/5oly) | |
5OBH
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![BU of 5obh by Molmil](/molmil-images/mine/5obh) | Crystal structure of glycine binding protein in complex with bicuculline | Descriptor: | (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, ... | Authors: | Dawson, A, Hunter, W.N, Jones, M. | Deposit date: | 2017-06-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels. Chembiochem, 21, 2020
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5ODT
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![BU of 5odt by Molmil](/molmil-images/mine/5odt) | Aurora-A in complex with TACC3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, GLYCEROL, ... | Authors: | Burgess, S.G, Bayliss, R. | Deposit date: | 2017-07-06 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Mitotic spindle association of TACC3 requires Aurora-A-dependent stabilization of a cryptic alpha-helix. EMBO J., 37, 2018
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5OJ0
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![BU of 5oj0 by Molmil](/molmil-images/mine/5oj0) | |
5OLX
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![BU of 5olx by Molmil](/molmil-images/mine/5olx) | |
5OS1
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![BU of 5os1 by Molmil](/molmil-images/mine/5os1) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OOO
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![BU of 5ooo by Molmil](/molmil-images/mine/5ooo) | |
5ORL
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![BU of 5orl by Molmil](/molmil-images/mine/5orl) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5ORP
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![BU of 5orp by Molmil](/molmil-images/mine/5orp) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5ORX
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![BU of 5orx by Molmil](/molmil-images/mine/5orx) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OS6
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![BU of 5os6 by Molmil](/molmil-images/mine/5os6) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OSD
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![BU of 5osd by Molmil](/molmil-images/mine/5osd) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-17 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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1NB2
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![BU of 1nb2 by Molmil](/molmil-images/mine/1nb2) | Crystal Structure of Nucleoside Diphosphate Kinase from Bacillus Halodenitrificans | Descriptor: | Nucleoside Diphosphate Kinase | Authors: | Chen, C.-J, Liu, M.-Y, Chang, W.-C, Chang, T, Wang, B.-C, Le Gall, J. | Deposit date: | 2002-12-02 | Release date: | 2003-05-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a nucleoside diphosphate kinase from Bacillus halodenitrificans: coexpression of its activity with a Mn-superoxide dismutase. J.Struct.Biol., 142, 2003
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1N8U
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![BU of 1n8u by Molmil](/molmil-images/mine/1n8u) | Chemosensory Protein in Complex with bromo-dodecanol | Descriptor: | BROMO-DODECANOL, chemosensory protein | Authors: | Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C. | Deposit date: | 2002-11-21 | Release date: | 2003-04-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding. Proc.Natl.Acad.Sci.USA, 100, 2003
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1NC5
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![BU of 1nc5 by Molmil](/molmil-images/mine/1nc5) | Structure of Protein of Unknown Function of YteR from Bacillus Subtilis | Descriptor: | hypothetical protein yTER | Authors: | Zhang, R, Lozondra, L, Korolev, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-12-04 | Release date: | 2003-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 1.6 A crystal structure of YteR protein from Bacillus subtilis, a predicted lyase. Proteins, 60, 2005
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1O07
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![BU of 1o07 by Molmil](/molmil-images/mine/1o07) | Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG) | Descriptor: | 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 | Authors: | Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S. | Deposit date: | 2003-02-20 | Release date: | 2003-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins J.Am.Chem.Soc., 125, 2003
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1RC7
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![BU of 1rc7 by Molmil](/molmil-images/mine/1rc7) | Crystal structure of RNase III Mutant E110K from Aquifex Aeolicus complexed with ds-RNA at 2.15 Angstrom Resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3', Ribonuclease III | Authors: | Blaszczyk, J, Gan, J, Ji, X. | Deposit date: | 2003-11-03 | Release date: | 2004-03-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA. Structure, 12, 2004
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1PBW
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![BU of 1pbw by Molmil](/molmil-images/mine/1pbw) | STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE | Authors: | Musacchio, A, Cantley, L.C, Harrison, S.C. | Deposit date: | 1996-10-17 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit. Proc.Natl.Acad.Sci.USA, 93, 1996
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1PQF
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![BU of 1pqf by Molmil](/molmil-images/mine/1pqf) | Glycine 24 to Serine mutation of aspartate decarboxylase | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | Authors: | 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. | Deposit date: | 2003-06-18 | Release date: | 2003-11-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J., 22, 2003
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