2ROU
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![BU of 2rou by Molmil](/molmil-images/mine/2rou) | Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3') | Authors: | Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P. | Deposit date: | 2008-04-20 | Release date: | 2009-03-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat Chem.Res.Toxicol., 21, 2008
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7VZR
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![BU of 7vzr by Molmil](/molmil-images/mine/7vzr) | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form) | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | Deposit date: | 2021-11-16 | Release date: | 2022-12-28 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.22 Å) | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c Nat Commun, 13, 2022
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7VZG
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![BU of 7vzg by Molmil](/molmil-images/mine/7vzg) | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form) | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | Deposit date: | 2021-11-16 | Release date: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c. Nat Commun, 13, 2022
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6FU3
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![BU of 6fu3 by Molmil](/molmil-images/mine/6fu3) | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae | Descriptor: | CALCIUM ION, HEME C, Protein CcpR | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae To Be Published
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5G2N
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![BU of 5g2n by Molmil](/molmil-images/mine/5g2n) | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | Deposit date: | 2016-04-11 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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5Y6G
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![BU of 5y6g by Molmil](/molmil-images/mine/5y6g) | PilZ domain with c-di-GMP of YcgR from Escherichia coli | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION | Authors: | Hou, Y.J, Wang, D.C, Li, D.F. | Deposit date: | 2017-08-11 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli. J.Biol.Chem., 295, 2020
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5Y6F
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![BU of 5y6f by Molmil](/molmil-images/mine/5y6f) | Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION | Authors: | Hou, Y.J, Wang, D.C, Li, D.F. | Deposit date: | 2017-08-11 | Release date: | 2018-07-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli. J.Biol.Chem., 295, 2020
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1PKG
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![BU of 1pkg by Molmil](/molmil-images/mine/1pkg) | Structure of a c-Kit Kinase Product Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, c-kit protein | Authors: | Mol, C.D, Lim, K.B, Sridhar, V, Zou, H, Chien, E.Y.T, Sang, B.-C, Nowakowski, J, Kassel, D.B, Cronin, C.N, McRee, D.E. | Deposit date: | 2003-06-05 | Release date: | 2003-08-12 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a c-Kit Product Complex Reveals the Basis for Kinase Transactivation. J.Biol.Chem., 278, 2003
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1NML
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![BU of 1nml by Molmil](/molmil-images/mine/1nml) | Di-haemic Cytochrome c Peroxidase from Pseudomonas nautica 617, form IN (pH 4.0) | Descriptor: | CITRIC ACID, HEME C, di-haem cytochrome c peroxidase | Authors: | Dias, J.M, Bonifacio, C, Alves, T, Pereira, A.S, Bourgeois, D, Moura, I, Romao, M.J. | Deposit date: | 2003-01-10 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617 Structure, 12, 2004
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4RT1
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![BU of 4rt1 by Molmil](/molmil-images/mine/4rt1) | Structure of the Alg44 PilZ domain (R95A mutant) from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, CHLORIDE ION, ... | Authors: | Whitfield, G.B, Whitney, J.C. | Deposit date: | 2014-11-12 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa. J.Biol.Chem., 290, 2015
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5YRY
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![BU of 5yry by Molmil](/molmil-images/mine/5yry) | |
6CAM
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![BU of 6cam by Molmil](/molmil-images/mine/6cam) | |
1O0E
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![BU of 1o0e by Molmil](/molmil-images/mine/1o0e) | 1.9 Angstrom Crystal Structure of a plant cysteine protease Ervatamin C | Descriptor: | Ervatamin C, THIOSULFATE | Authors: | Thakurta, P.G, Chakrabarti, C, Biswas, S, Dattagupta, J.K. | Deposit date: | 2003-02-21 | Release date: | 2004-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of the Unusual Stability and Substrate Specificity of Ervatamin C, a Plant Cysteine Protease from Ervatamia coronaria Biochemistry, 43, 2004
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2XRU
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![BU of 2xru by Molmil](/molmil-images/mine/2xru) | AURORA-A T288E COMPLEXED WITH PHA-828300 | Descriptor: | 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P. | Deposit date: | 2010-09-22 | Release date: | 2010-09-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity. Bioorg.Med.Chem., 18, 2010
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4RT0
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![BU of 4rt0 by Molmil](/molmil-images/mine/4rt0) | Structure of the Alg44 PilZ domain from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP | Descriptor: | 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44 | Authors: | Whitfield, G.B, Whitney, J.C. | Deposit date: | 2014-11-12 | Release date: | 2015-04-08 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa. J.Biol.Chem., 290, 2015
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1HJG
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![BU of 1hjg by Molmil](/molmil-images/mine/1hjg) | Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | Descriptor: | 3-METHYL-2-OXOBUTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | Authors: | Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J. | Deposit date: | 2001-01-15 | Release date: | 2001-06-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258 J.Biol.Chem., 276, 2001
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1W28
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![BU of 1w28 by Molmil](/molmil-images/mine/1w28) | Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-06-30 | Release date: | 2004-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1YV2
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![BU of 1yv2 by Molmil](/molmil-images/mine/1yv2) | Hepatitis C virus NS5B RNA-dependent RNA Polymerase genotype 2a | Descriptor: | GLYCEROL, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-14 | Release date: | 2005-03-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of the RNA-dependent RNA Polymerase Genotype 2a of Hepatitis C Virus Reveal Two Conformations and Suggest Mechanisms of Inhibition by Non-nucleoside Inhibitors J.Biol.Chem., 280, 2005
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1YVZ
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![BU of 1yvz by Molmil](/molmil-images/mine/1yvz) | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | Descriptor: | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-16 | Release date: | 2005-03-22 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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1YUY
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![BU of 1yuy by Molmil](/molmil-images/mine/1yuy) | HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE GENOTYPE 2a | Descriptor: | RNA-Dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-14 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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5O10
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![BU of 5o10 by Molmil](/molmil-images/mine/5o10) | Y48H mutant of human cytochrome c | Descriptor: | Cytochrome c, HEME C | Authors: | Moreno-Chicano, T, Deacon, O.M, Hough, M.A, Worrall, J.A.R. | Deposit date: | 2017-05-17 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Heightened Dynamics of the Oxidized Y48H Variant of Human Cytochrome c Increases Its Peroxidatic Activity. Biochemistry, 56, 2017
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1YVX
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![BU of 1yvx by Molmil](/molmil-images/mine/1yvx) | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | Descriptor: | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-16 | Release date: | 2005-03-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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1P5X
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![BU of 1p5x by Molmil](/molmil-images/mine/1p5x) | STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS | Descriptor: | Phospholipase C, ZINC ION | Authors: | Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F. | Deposit date: | 2003-04-28 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base. Arch.Biochem.Biophys., 417, 2003
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1P6E
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![BU of 1p6e by Molmil](/molmil-images/mine/1p6e) | STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE | Descriptor: | 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE, Phospholipase C, ZINC ION | Authors: | Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F. | Deposit date: | 2003-04-29 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base. Arch.Biochem.Biophys., 417, 2003
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1MZ4
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![BU of 1mz4 by Molmil](/molmil-images/mine/1mz4) | Crystal Structure of Cytochrome c550 from Thermosynechococcus elongatus | Descriptor: | BICARBONATE ION, GLYCEROL, HEME C, ... | Authors: | Kerfeld, C.A, Sawaya, M.R, Bottin, H, Tran, K.T, Sugiura, M, Kirilovsky, D, Krogmann, D, Yeates, T.O, Boussac, A. | Deposit date: | 2002-10-05 | Release date: | 2003-09-23 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and EPR characterization of the soluble form of cytochrome c-550 and of the psbV2 gene product from the cyanobacterium Thermosynechococcus elongatus. Plant Cell.Physiol., 44, 2003
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