4F1T
 
 | | Crystal Structure of the Roco4 Kinase Domain from D. discoideum bound to the ROCK Inhibitor H1152 | | Descriptor: | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, Serine/threonine-protein kinase roco4 | | Authors: | Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A. | | Deposit date: | 2012-05-07 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4MUX
 | | IspH in complex with pyridin-3-ylmethyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate | | Authors: | Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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4FCU
 | | 1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site | | Descriptor: | 3-deoxy-manno-octulosonate cytidylyltransferase | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-25 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site.
TO BE PUBLISHED
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4N1R
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2Y7P
 | | DntR Inducer Binding Domain in Complex with Salicylate. Trigonal crystal form | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN | | Authors: | Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C. | | Deposit date: | 2011-02-01 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
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2YMU
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2YIS
 | | triazolopyridine inhibitors of p38 kinase. | | Descriptor: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | | Deposit date: | 2011-05-16 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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4MUA
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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2Z4Q
 | | Crystal structure of a murine antibody FAB 528 | | Descriptor: | CADMIUM ION, CHLORIDE ION, anti egfr antibody fab, ... | | Authors: | Nakanishi, T, Tsumoto, K, Asano, R, Kondo, H, Kumagai, I. | | Deposit date: | 2007-06-22 | | Release date: | 2007-10-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Thermodynamic consequences of mutations in vernier zone residues of a humanized anti-human epidermal growth factor receptor murine antibody, 528
J.Biol.Chem., 283, 2008
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4N1M
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4GTU
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4N5R
 | | Hen egg-white lysozyme phased using free-electron laser data | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C | | Authors: | Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. | | Deposit date: | 2013-10-10 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | De novo protein crystal structure determination from X-ray free-electron laser data.
Nature, 505, 2014
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4MV0
 | | IspH in complex with pyridin-2-ylmethyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-ylmethyl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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2Z6N
 | | Crystal Structure of Carbonmonoxy Hemoglobin D from the Aldabra Giant Tortoise, Geochelone gigantea | | Descriptor: | CARBON MONOXIDE, Hemoglobin A/D subunit beta, Hemoglobin D subunit alpha, ... | | Authors: | Kuwada, T, Hasegawa, T, Sato, I, Ishikawa, K, Shishikura, F. | | Deposit date: | 2007-08-04 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal Structure of the Ligated Hemoglobin D from the Aldabra Giant Tortoise, Geochelone gigantea
To be Published
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4H4N
 | | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-09-17 | | Release date: | 2012-09-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis.
TO BE PUBLISHED
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4MZI
 | | Crystal structure of a human mutant p53 | | Descriptor: | Cellular tumor antigen p53, ZINC ION | | Authors: | Emamzadah, S, Tropia, L, Vincenti, I, Falquet, B, Halazonetis, T.D. | | Deposit date: | 2013-09-30 | | Release date: | 2014-01-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Reversal of the DNA-Binding-Induced Loop L1 Conformational Switch in an Engineered Human p53 Protein.
J.Mol.Biol., 426, 2014
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4N0M
 | | Crystal structure of human C53A DJ-1 in complex with Cu | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 | | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | | Deposit date: | 2013-10-02 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation.
J.Biol.Chem., 289, 2014
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3B30
 | | Crystal Structure of F. graminearum TRI101 complexed with Ethyl Coenzyme A | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Ethyl Coenzyme A, Trichothecene 3-O-acetyltransferase | | Authors: | Garvey, G.S, Rayment, I. | | Deposit date: | 2007-10-19 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Functional Characterization of the TRI101 Trichothecene 3-O-Acetyltransferase from Fusarium sporotrichioides and Fusarium graminearum: KINETIC INSIGHTS TO COMBATING FUSARIUM HEAD BLIGHT
J.Biol.Chem., 283, 2008
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4FAE
 | | Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, Substrate p2/NC peptide | | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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4N1Q
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3B2S
 | | Crystal Structure of F. graminearum TRI101 complexed with Coenzyme A and Deoxynivalenol | | Descriptor: | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COENZYME A, ... | | Authors: | Garvey, G.S, Rayment, I. | | Deposit date: | 2007-10-19 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and Functional Characterization of the TRI101 Trichothecene 3-O-Acetyltransferase from Fusarium sporotrichioides and Fusarium graminearum: KINETIC INSIGHTS TO COMBATING FUSARIUM HEAD BLIGHT
J.Biol.Chem., 283, 2008
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4FH5
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3B0P
 | | tRNA-dihydrouridine synthase from Thermus thermophilus | | Descriptor: | FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase | | Authors: | Yu, F, Tanaka, Y, Yamashita, K, Nakamura, A, Yao, M, Tanaka, I. | | Deposit date: | 2011-06-12 | | Release date: | 2011-12-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of dihydrouridine formation on tRNA
Proc.Natl.Acad.Sci.USA, 108, 2011
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2ZOY
 | | The multi-drug binding transcriptional repressor CgmR (CGL2612 protein) from C.glutamicum | | Descriptor: | GLYCEROL, Transcriptional regulator | | Authors: | Itou, H, Yao, M, Watanabe, N, Tanaka, I. | | Deposit date: | 2008-06-20 | | Release date: | 2008-07-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The CGL2612 protein from Corynebacterium glutamicum is a drug resistance-related transcriptional repressor: structural and functional analysis of a newly identified transcription factor from genomic DNA analysis
J.Biol.Chem., 280, 2005
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4EI7
 | | Crystal structure of Bacillus cereus TubZ, GDP-form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Plasmid replication protein RepX | | Authors: | Hayashi, I, Hoshino, S. | | Deposit date: | 2012-04-05 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
J.Biol.Chem., 287, 2012
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