3MVY
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![BU of 3mvy by Molmil](/molmil-images/mine/3mvy) | X-ray structure of the diatomic oxo-intermediate NikA/1-Int', prior hydroxylation | Descriptor: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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5CAL
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![BU of 5cal by Molmil](/molmil-images/mine/5cal) | EGFR kinase domain mutant "TMLR" with compound 24 | Descriptor: | 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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3MZ9
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![BU of 3mz9 by Molmil](/molmil-images/mine/3mz9) | X-ray structure of NikA in complex with HBED | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-12 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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1CCA
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![BU of 1cca by Molmil](/molmil-images/mine/1cca) | THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Goodin, D.B, Mcree, D.E. | Deposit date: | 1993-01-04 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme. Biochemistry, 32, 1993
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5IE8
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![BU of 5ie8 by Molmil](/molmil-images/mine/5ie8) | |
4P7O
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![BU of 4p7o by Molmil](/molmil-images/mine/4p7o) | Structure of Escherichia coli PgaB C-terminal domain, P1 crystal form | Descriptor: | Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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3N4S
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![BU of 3n4s by Molmil](/molmil-images/mine/3n4s) | Structure of Csm1 C-terminal domain, P21212 form | Descriptor: | Monopolin complex subunit CSM1, PENTAETHYLENE GLYCOL | Authors: | Corbett, K.D, Harrison, S.C. | Deposit date: | 2010-05-22 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Monopolin Complex Crosslinks Kinetochore Components to Regulate Chromosome-Microtubule Attachments. Cell(Cambridge,Mass.), 142, 2010
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7ZS0
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![BU of 7zs0 by Molmil](/molmil-images/mine/7zs0) | |
7ZS1
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![BU of 7zs1 by Molmil](/molmil-images/mine/7zs1) | |
7ZS2
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![BU of 7zs2 by Molmil](/molmil-images/mine/7zs2) | |
1RWE
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![BU of 1rwe by Molmil](/molmil-images/mine/1rwe) | Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z, Xu, B, Chu, Y.C, Li, B, Nakagawa, S.H, Qu, Y, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2003-12-16 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhancing the activity of insulin at the receptor interface: crystal structure and photo-cross-linking of A8 analogues. Biochemistry, 43, 2004
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3MWU
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![BU of 3mwu by Molmil](/molmil-images/mine/3mwu) | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-06 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
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3MWW
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![BU of 3mww by Molmil](/molmil-images/mine/3mww) | Crystal structure of HCV NS5B polymerase | Descriptor: | 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid, Genome polyprotein, SULFATE ION | Authors: | Coulombe, R. | Deposit date: | 2010-05-06 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B. J.Am.Chem.Soc., 132, 2010
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3MWV
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![BU of 3mwv by Molmil](/molmil-images/mine/3mwv) | Crystal structure of HCV NS5B polymerase | Descriptor: | Genome polyprotein | Authors: | Coulombe, R. | Deposit date: | 2010-05-06 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B. J.Am.Chem.Soc., 132, 2010
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6GDL
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![BU of 6gdl by Molmil](/molmil-images/mine/6gdl) | |
1D78
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![BU of 1d78 by Molmil](/molmil-images/mine/1d78) | HIGH RESOLUTION REFINEMENT OF THE HEXAGONAL A-DNA OCTAMER D(GTGTACAC) AT 1.4 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3') | Authors: | Thota, N, Li, X.H, Bingman, C.A, Sundaralingam, M. | Deposit date: | 1992-06-12 | Release date: | 1993-04-15 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution refinement of the hexagonal A-DNA octamer d(GTGTACAC) at 1.4 A. Acta Crystallogr.,Sect.D, 49, 1993
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3MVX
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![BU of 3mvx by Molmil](/molmil-images/mine/3mvx) | X-ray structure of the reduced NikA/1 hybrid, NikA/1-Red | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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5I9D
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![BU of 5i9d by Molmil](/molmil-images/mine/5i9d) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2 | Descriptor: | RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2 | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | Deposit date: | 2016-02-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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5I7Z
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![BU of 5i7z by Molmil](/molmil-images/mine/5i7z) | Crystal structure of a Par-6 PDZ-Crumbs 3 C-terminal peptide complex | Descriptor: | Crb-3, DI(HYDROXYETHYL)ETHER, LD29223p | Authors: | Whitney, D.S, Peterson, F.C, Prehoda, K.E, Volkman, B.F. | Deposit date: | 2016-02-18 | Release date: | 2016-03-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Binding of Crumbs to the Par-6 CRIB-PDZ Module Is Regulated by Cdc42. Biochemistry, 55, 2016
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3MVZ
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![BU of 3mvz by Molmil](/molmil-images/mine/3mvz) | X-ray structure of the (hydro)peroxo intermediate NikA/1-Int", after monohydroxylation of the iron complex | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, FE (III) ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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3MW0
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![BU of 3mw0 by Molmil](/molmil-images/mine/3mw0) | X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2 | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, DITHIANE DIOL, FE (III) ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-05 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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7XQJ
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![BU of 7xqj by Molmil](/molmil-images/mine/7xqj) | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (PLN conformation) | Descriptor: | Gap junction alpha-1 protein | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2022-05-07 | Release date: | 2023-01-25 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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7XQI
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![BU of 7xqi by Molmil](/molmil-images/mine/7xqi) | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (FIN conformation) | Descriptor: | Gap junction alpha-1 protein | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2022-05-07 | Release date: | 2023-01-25 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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3N4R
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![BU of 3n4r by Molmil](/molmil-images/mine/3n4r) | Structure of Csm1 C-terminal domain, R3 form | Descriptor: | MALONATE ION, Monopolin complex subunit CSM1, PENTAETHYLENE GLYCOL | Authors: | Corbett, K.D, Harrison, S.C. | Deposit date: | 2010-05-22 | Release date: | 2010-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | The Monopolin Complex Crosslinks Kinetochore Components to Regulate Chromosome-Microtubule Attachments. Cell(Cambridge,Mass.), 142, 2010
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3HB3
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![BU of 3hb3 by Molmil](/molmil-images/mine/3hb3) | High resolution crystal structure of Paracoccus denitrificans cytochrome c oxidase | Descriptor: | ANTIBODY FV FRAGMENT, CALCIUM ION, COPPER (I) ION, ... | Authors: | Koepke, J, Angerer, H, Peng, G. | Deposit date: | 2009-05-04 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | High resolution crystal structure of Paracoccus denitrificans cytochrome c oxidase: New insights into the active site and the proton transfer pathways Biochim.Biophys.Acta, 1787, 2009
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