3NF9
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-10 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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5KZO
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4XAC
| Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca complexed with 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, EvdO2, IMIDAZOLE, ... | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-13 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XCA
| Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ... | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XAB
| Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca | Descriptor: | EvdO2, IMIDAZOLE, NICKEL (II) ION | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-13 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XAA
| Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57 | Descriptor: | NICKEL (II) ION, Putative oxygenase | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-13 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XCB
| Crystal Structure of HygX from Streptomyces hygroscopicus with nickel, 2-oxoglutarate, and hygromycin B bound | Descriptor: | 2-OXOGLUTARIC ACID, HYGROMYCIN B VARIANT, NICKEL (II) ION, ... | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XBZ
| Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca | Descriptor: | EvdO1, GLYCEROL, NICKEL (II) ION | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XC9
| Crystal Structure of apo HygX from Streptomyces hygroscopicus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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2CD8
| Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2006-01-20 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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1DSI
| Solution structure of a duocarmycin sa-indole-alkylated dna dupleX | Descriptor: | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | Authors: | Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct J.Am.Chem.Soc., 121, 1999
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7SNM
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3QRN
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3QF8
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3ZCM
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3GOM
| Barium bound to the Holliday junction sequence d(TCGGCGCCGA)4 | Descriptor: | 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION | Authors: | Naseer, A, Cardin, C.J. | Deposit date: | 2009-03-19 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure determination of an intercalating ruthenium dipyridophenazine complex which kinks DNA by semiintercalation of a tetraazaphenanthrene ligand. Proc.Natl.Acad.Sci.USA, 108, 2011
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4ZPI
| Crystal Structure of HygX from Streptomyces hygroscopicus with iron bound | Descriptor: | FE (II) ION, Putative oxidase/hydroxylase, SUCCINIC ACID | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2015-05-07 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4IJM
| Crystal structure of circadian clock protein KaiC A422V mutant | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Egli, M, Pattanayek, R. | Deposit date: | 2012-12-21 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock. Biochemistry, 52, 2013
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4L4Y
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4L4Z
| Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition | Descriptor: | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate, Transcriptional regulator LsrR | Authors: | Ryu, K.S, Ha, J.H, Eo, Y. | Deposit date: | 2013-06-10 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition. J.Am.Chem.Soc., 135, 2013
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4L50
| Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition | Descriptor: | (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate, Transcriptional regulator LsrR | Authors: | Ryu, K.S, Ha, J.H, Eo, Y. | Deposit date: | 2013-06-10 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition. J.Am.Chem.Soc., 135, 2013
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4L5I
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4L51
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4L5J
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