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PDB: 12479 results

6YVF
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Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
2FQE
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Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
7QA3
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Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Descriptor: Multiple virulence factor regulator MvfR, N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
2G67
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E. Coli Pyruvate Dehydrogenase E1 Component (Apoenzyme)
Descriptor: Pyruvate dehydrogenase E1 component
Authors:Furey, W, Chandrasekhar, K, Arjunan, P.
Deposit date:2006-02-24
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Active-site changes in the pyruvate dehydrogenase multienzyme complex E1 apoenzyme component from Escherichia coli observed at 2.32 A resolution.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2FV7
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Crystal structure of human ribokinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human ribokinase
to be published
2FWV
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Crystal Structure of Rv0813
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852
Authors:Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE)
Deposit date:2006-02-03
Release date:2006-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria
J.Bacteriol., 189, 2007
2FXM
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Structure of the human beta-myosin S2 fragment
Descriptor: MERCURY (II) ION, Myosin heavy chain, cardiac muscle beta isoform
Authors:Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
Deposit date:2006-02-06
Release date:2006-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment
Proc.Natl.Acad.Sci.Usa, 103, 2006
7QAV
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Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-cyclopropylphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Descriptor: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
2FQG
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Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2FZ0
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Identification of yeast R-SNARE Nyv1p as a novel longin domain protein
Descriptor: v-SNARE component of the vacuolar SNARE complex involved in vesicle fusion; inhibits ATP-dependent Ca(2+) transport activity of Pmc1p in the vacuolar membrane; Nyv1p
Authors:Wen, W, Zhang, M.
Deposit date:2006-02-08
Release date:2006-03-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Identification of the Yeast R-SNARE Nyv1p as a Novel Longin Domain-containing Protein
Mol.Cell.Biol., 17, 2006
2FQ4
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The crystal structure of the transcriptional regulator (TetR family) from Bacillus cereus
Descriptor: Transcriptional regulator, TetR family
Authors:Zhang, R, Wu, R, Moy, S, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-01-17
Release date:2006-02-28
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structure of the transcriptional regulator (TetR family) from Bacillus cereus
To be Published
2FU2
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Crystal structure of protein SPy2152 from Streptococcus pyogenes
Descriptor: Hypothetical protein SPy2152
Authors:Chang, C, Cymborowski, M, Otwinowski, Z, Minor, W, Lezondra, L.-E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-01-25
Release date:2006-03-07
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of pyogenecin immunity protein, a novel bacteriocin-like immunity protein from Streptococcus pyogenes.
Bmc Struct.Biol., 9, 2009
2G32
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Crystal structure of an RNA racemate
Descriptor: CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ...
Authors:Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A.
Deposit date:2006-02-17
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The first crystal structure of an RNA racemate.
Acta Crystallogr.,Sect.D, 62, 2006
2G6L
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Structure of rat nNOS heme domain (BH2 bound) complexed with NO
Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2FQF
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Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2FUL
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BU of 2ful by Molmil
Crystal Structure of the C-terminal Domain of S. cerevisiae eIF5
Descriptor: Eukaryotic translation initiation factor 5, SULFATE ION
Authors:Wei, Z, Xue, Y, Xu, H, Gong, W.
Deposit date:2006-01-27
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the C-terminal Domain of S.cerevisiae eIF5
J.Mol.Biol., 359, 2006
2FX2
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COMPARISON OF THE CRYSTAL STRUCTURES OF A FLAVODOXIN IN ITS THREE OXIDATION STATES AT CRYOGENIC TEMPERATURES
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Watt, W, Watenpaugh, K.D.
Deposit date:1991-10-17
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of the crystal structures of a flavodoxin in its three oxidation states at cryogenic temperatures.
J.Mol.Biol., 218, 1991
2G3B
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BU of 2g3b by Molmil
Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
Descriptor: GLYCEROL, putative TetR-family transcriptional regulator
Authors:Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Wang, S, Koclega, K.D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-02-17
Release date:2006-03-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
To be Published
2G28
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E. Coli Pyruvate Dehydrogenase H407A variant Phosphonolactylthiamin Diphosphate Complex
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component
Authors:Furey, W, Arjunan, P, Chandrasekhar, K.
Deposit date:2006-02-15
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct.
J.Biol.Chem., 281, 2006
2GAO
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Crystal Structure of Human SAR1a in Complex With GDP
Descriptor: GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Wang, J, Dimov, S, Tempel, W, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-03-09
Release date:2006-03-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human SAR1a in Complex With GDP
To be Published
2G6N
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Strcture of rat nNOS heme domain (BH2 bound) complexed with CO
Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2G8I
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B. halodurans RNase H catalytic domain D192N mutant in complex with Mn2+ and RNA/DNA hybrid (non-P nick at the active site)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*AP*TP*GP*TP*CP*G)-3', 5'-R(*UP*CP*GP*AP*CP*A)-3', ...
Authors:Nowotny, M, Yang, W.
Deposit date:2006-03-02
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stepwise analyses of metal ions in RNase H catalysis from substrate destabilization to product release.
Embo J., 25, 2006
2G8W
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BU of 2g8w by Molmil
B. halodurans RNase H catalytic domain E188A mutant in complex with Ca2+ and RNA/DNA hybrid
Descriptor: 5'-D(*AP*TP*GP*TP*CP*G)-3', 5'-R(P*UP*CP*GP*AP*CP*A)-3', CALCIUM ION, ...
Authors:Nowotny, M, Yang, W.
Deposit date:2006-03-03
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Stepwise analyses of metal ions in RNase H catalysis from substrate destabilization to product release.
Embo J., 25, 2006
2GF9
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Crystal structure of human RAB3D in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-3D, ...
Authors:Hong, B, Wang, J, Shen, L, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-03-21
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of human RAB3D in complex with GDP
To be Published
2FV1
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UGL_D88N/dGlcA-GlcNAc
Descriptor: 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Unsaturated glucuronyl hydrolase
Authors:Itoh, T, Hashimoto, W, Mikami, B, Murata, K.
Deposit date:2006-01-28
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate recognition by unsaturated glucuronyl hydrolase from Bacillus sp. GL1
Biochem.Biophys.Res.Commun., 344, 2006

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