3KQN
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3KQU
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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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3I01
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![BU of 3i01 by Molmil](/molmil-images/mine/3i01) | Native structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase from Moorella thermoacetica, water-bound C-cluster. | Descriptor: | ACETATE ION, COPPER (I) ION, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ... | Authors: | Kung, Y, Doukov, T.I, Drennan, C.L. | Deposit date: | 2009-06-24 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystallographic snapshots of cyanide- and water-bound C-clusters from bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase. Biochemistry, 48, 2009
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6I7R
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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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1P6D
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![BU of 1p6d by Molmil](/molmil-images/mine/1p6d) | STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE | Descriptor: | (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, 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 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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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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1HJF
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![BU of 1hjf by Molmil](/molmil-images/mine/1hjf) | Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | Descriptor: | 2-OXO-4-METHYLPENTANOIC 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 (1.6 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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3FYE
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![BU of 3fye by Molmil](/molmil-images/mine/3fye) | Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (I) ION, ... | Authors: | Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2009-01-22 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake. Biochemistry, 48, 2009
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5YRY
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3DTU
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![BU of 3dtu by Molmil](/molmil-images/mine/3dtu) | Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CADMIUM ION, CALCIUM ION, ... | Authors: | Qin, L, Mills, D.A, Buhrow, L, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2008-07-15 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A conserved steroid binding site in cytochrome C oxidase. Biochemistry, 47, 2008
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3FYI
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![BU of 3fyi by Molmil](/molmil-images/mine/3fyi) | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides in the reduced state bound with cyanide | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (I) ION, ... | Authors: | Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2009-01-22 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake. Biochemistry, 48, 2009
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3MUR
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![BU of 3mur by Molmil](/molmil-images/mine/3mur) | Crystal Structure of the C92U mutant c-di-GMP riboswith bound to 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), C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ... | Authors: | Strobel, S.A, Smith, K.D. | Deposit date: | 2010-05-03 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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3MUM
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![BU of 3mum by Molmil](/molmil-images/mine/3mum) | Crystal Structure of the G20A mutant c-di-GMP riboswith bound to 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), G20A mutant c-di-GMP Riboswitch, MAGNESIUM ION, ... | Authors: | Strobel, S.A, Smith, K.D. | Deposit date: | 2010-05-03 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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3KQH
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3MXH
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![BU of 3mxh by Molmil](/molmil-images/mine/3mxh) | Native structure of a c-di-GMP riboswitch from V. cholerae | 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), MAGNESIUM ION, U1 small nuclear ribonucleoprotein A, ... | Authors: | Strobel, S.A, Smith, K.D. | Deposit date: | 2010-05-07 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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3MUT
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![BU of 3mut by Molmil](/molmil-images/mine/3mut) | Crystal Structure of the G20A/C92U mutant c-di-GMP riboswith bound to 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), G20A/C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ... | Authors: | Strobel, S.A, Smith, K.D. | Deposit date: | 2010-05-03 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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3KQL
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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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5WBN
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![BU of 5wbn by Molmil](/molmil-images/mine/5wbn) | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | Deposit date: | 2017-06-29 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain To be published
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1N64
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![BU of 1n64 by Molmil](/molmil-images/mine/1n64) | Crystal structure analysis of the immunodominant antigenic site on Hepatitis C virus protein bound to mAb 19D9D6 | Descriptor: | Fab 19D9D6 heavy chain, Fab 19D9D6 light chain, Genome polyprotein Capsid protein C | Authors: | Menez, R, Bossus, M, Muller, B, Sibai, G, Dalbon, P, Ducancel, F, Jolivet-Reynaud, C, Stura, E. | Deposit date: | 2002-11-08 | Release date: | 2003-02-25 | Last modified: | 2013-09-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of a hydrophobic immunodominant
antigenic site on hepatitis C virus core protein
complexed to monoclonal antibody 19D9D6. J.Immunol., 170, 2003
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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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