3SWZ
 
 | | Human Cytochrome P450 17A1 in complex with TOK-001 | | Descriptor: | (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-14 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
|
|
2DW4
 | |
4A68
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
|
|
5UO8
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
|
|
1FEB
 | |
2QX8
 | | Crystal Structure of Quinone Reductase II | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2007-08-10 | | Release date: | 2008-09-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
|
|
5A4F
 | | The mechanism of Hydrogen Activation by NiFe-hydrogenases. | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | | Deposit date: | 2015-06-09 | | Release date: | 2015-11-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
|
|
6LZL
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine | | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Liu, Z.H, Wu, D, Lu, W.Q, Huang, J. | | Deposit date: | 2020-02-19 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine
To Be Published
|
|
3CNS
 | |
2WH8
 | | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines | | Descriptor: | 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 | | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | | Deposit date: | 2009-05-01 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
|
|
4GR9
 | | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ... | | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | | Deposit date: | 2012-08-24 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
3E6O
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
7KLR
 | |
5TR0
 | | Lipoxygenase-1 (soybean) L754A mutant at 293K | | Descriptor: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
|
|
5UAP
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | | Descriptor: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2016-12-19 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
|
|
1SDW
 | | Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase with bound peptide and dioxygen | | Descriptor: | COPPER (II) ION, GLYCEROL, N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE, ... | | Authors: | Prigge, S.T, Eipper, B.A, Mains, R.E, Amzel, L.M. | | Deposit date: | 2004-02-14 | | Release date: | 2004-05-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dioxygen binds end-on to mononuclear copper in a precatalytic enzyme complex.
Science, 304, 2004
|
|
5TQP
 | | LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K | | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
|
|
3E6L
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
1AKI
 | | THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE LYSOZYME AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | LYSOZYME | | Authors: | Carter, D, He, J, Ruble, J.R, Wright, B. | | Deposit date: | 1997-05-19 | | Release date: | 1997-11-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Structures of the Monoclinic and Orthorhombic Forms of Hen Egg-White Lysozyme at 6 Angstroms Resolution
Acta Crystallogr.,Sect.B, 38, 1982
|
|
3BI2
 | |
1YI9
 | | Crystal Structure Analysis of the oxidized form of the M314I mutant of Peptidylglycine alpha-Hydroxylating Monooxygenase | | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | | Deposit date: | 2005-01-11 | | Release date: | 2005-11-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The catalytic copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also plays a critical structural role.
Biophys.J., 89, 2005
|
|
8C29
 | | Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Kopecny, D, Semchonok, D.A, Kouril, R. | | Deposit date: | 2022-12-21 | | Release date: | 2023-07-26 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.785 Å) | | Cite: | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Nat.Plants, 9, 2023
|
|
2ZUQ
 | | Crystal structure of DsbB-Fab complex | | Descriptor: | Disulfide bond formation protein B, Fab fragment heavy chain, Fab fragment light chain, ... | | Authors: | Inaba, K, Suzuki, M, Murakami, S. | | Deposit date: | 2008-10-28 | | Release date: | 2009-04-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Dynamic nature of disulphide bond formation catalysts revealed by crystal structures of DsbB
Embo J., 28, 2009
|
|
4N9S
 | | High resolution X-RAY STRUCTURE OF URATE OXIDASE IN COMPLEX WITH 8-HYDROXYXANTHINE | | Descriptor: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
|
|
3FC4
 | | Ethylene glycol inhibited form of Aldehyde oxidoreductase from Desulfovibrio gigas | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 1,2-ETHANEDIOL, Aldehyde oxidoreductase, ... | | Authors: | Santos-Silva, T, Romao, M.J. | | Deposit date: | 2008-11-21 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Kinetic, structural, and EPR studies reveal that aldehyde oxidoreductase from Desulfovibrio gigas does not need a sulfido ligand for catalysis and give evidence for a direct Mo-C interaction in a biological system.
J.Am.Chem.Soc., 131, 2009
|
|
