6T31
| Streptavidin variants harbouring an artificial organocatalyst based cofactor | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | Authors: | Lechner, H, Hocker, B. | Deposit date: | 2019-10-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Chembiochem, 22, 2021
|
|
4D3B
| Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
|
|
4CWV
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL)PENTYL)OXY) PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-04-03 | Release date: | 2014-08-13 | Last modified: | 2014-09-03 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
|
|
2OG1
| Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400 | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, ETHANOL, GLYCEROL, ... | Authors: | Dai, S, Ke, J, Bolin, J.T. | Deposit date: | 2007-01-04 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway Biochemistry, 45, 2006
|
|
6O2T
| Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
2OIQ
| Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Seeliger, M.A, Nagar, B, Frank, F, Cao, X, Henderson, M.N, Kuriyan, J. | Deposit date: | 2007-01-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty. Structure, 15, 2007
|
|
3DSY
| |
6NGZ
| Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
|
|
3DUH
| Structure of Interleukin-23 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | Authors: | Lupardus, P.J, Garcia, K.C. | Deposit date: | 2008-07-17 | Release date: | 2008-08-19 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12. J.Mol.Biol., 382, 2008
|
|
4D36
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine | Descriptor: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
|
|
6NHB
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
|
|
6NHG
| Rhodobacter sphaeroides Mitochondrial respiratory chain complex | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Xia, D, Zhou, F, Esser, L. | Deposit date: | 2018-12-21 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit. J.Biol.Chem., 294, 2019
|
|
6T59
| Structure of rabbit 80S ribosome translating beta-tubulin in complex with tetratricopeptide protein 5 and nascent chain-associated complex | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Lin, Z, Gasic, I, Chandrasekaran, V, Peters, N, Shao, S, Ramakrishnan, V, Mitchison, T.J, Hegde, R.S. | Deposit date: | 2019-10-15 | Release date: | 2019-11-27 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | TTC5 mediates autoregulation of tubulin via mRNA degradation. Science, 367, 2020
|
|
2OJW
| Crystal structure of human glutamine synthetase in complex with ADP and phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J.Mol.Biol., 375, 2008
|
|
4CTV
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl) pyridin-2-yl)propyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-03-15 | Release date: | 2014-05-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014
|
|
3DVL
| |
3DYM
| E. coli (lacZ) beta-galactosidase (H418E) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Juers, D.H, Huber, R.E, Matthews, B.W. | Deposit date: | 2008-07-28 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli). Protein Sci., 18, 2009
|
|
2NSI
| HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ... | Authors: | Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L. | Deposit date: | 1999-01-11 | Release date: | 2000-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase. J.Biol.Chem., 274, 1999
|
|
4CVI
| Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2014-03-27 | Release date: | 2014-07-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
|
|
6NK5
| |
6TB2
| |
6S0K
| Ribosome nascent chain in complex with SecA | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Jomaa, A, Wang, S, Shan, S, Ban, N. | Deposit date: | 2019-06-17 | Release date: | 2019-10-09 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The molecular mechanism of cotranslational membrane protein recognition and targeting by SecA. Nat.Struct.Mol.Biol., 26, 2019
|
|
6RUA
| Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P. | Deposit date: | 2019-05-27 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes. J Enzyme Inhib Med Chem, 35, 2020
|
|
6S1K
| E. coli Core Signaling Unit, carrying QQQQ receptor mutation | Descriptor: | CheW, Chemotaxis protein CheA, Methyl-accepting chemotaxis protein I | Authors: | Cassidy, C.K. | Deposit date: | 2019-06-18 | Release date: | 2020-01-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.38 Å) | Cite: | Structure and dynamics of the E. coli chemotaxis core signaling complex by cryo-electron tomography and molecular simulations. Commun Biol, 3, 2020
|
|
4D38
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine | Descriptor: | (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
|
|