4UH7
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.235 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UGK
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(2-(5-(2-(Dimethylamino)ethyl)pyridin-3-yl)ethyl)-4-methylpyridin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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5EB4
| The crystal structure of almond HNL, PaHNL5 V317A, expressed in Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, K. | Deposit date: | 2015-10-17 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs. J.Biotechnol., 235, 2016
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4UP6
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4UGU
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N'-(4-(((2S,4R)-4-(3-((C-thiophen-2-ylcarbonimidoyl)amino)phenoxy) pyrrolidin-2-yl)methoxy)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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5K36
| Structure of an eleven component nuclear RNA exosome complex bound to RNA | Descriptor: | Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ... | Authors: | Lima, C.D, Zinder, J.C. | Deposit date: | 2016-05-19 | Release date: | 2016-11-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Nuclear RNA Exosome at 3.1 angstrom Reveals Substrate Specificities, RNA Paths, and Allosteric Inhibition of Rrp44/Dis3. Mol.Cell, 64, 2016
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5OHT
| A GH31 family sulfoquinovosidase from E. coli in complex with aza-sugar inhibitor IFGSQ | Descriptor: | CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5O4K
| Crystal structure of P450 CYP121 in complex with compound 6b. | Descriptor: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Levy, C.W. | Deposit date: | 2017-05-29 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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5DYY
| Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide | 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, Brus, B, Colletier, J.P. | Deposit date: | 2015-09-25 | Release date: | 2017-01-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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6ZE1
| human NBD1 of CFTR in complex with nanobody G11a | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Garcia-Pino, A, Govaerts, C, Scholl, D, Sigoillot, M. | Deposit date: | 2020-06-15 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | A topological switch in CFTR modulates channel activity and sensitivity to unfolding. Nat.Chem.Biol., 17, 2021
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5GAD
| RNC-SRP-SR complex early state | Descriptor: | 1A9L SS, 23S rRNA, 50S ribosomal protein L10, ... | Authors: | Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N. | Deposit date: | 2015-11-24 | Release date: | 2016-01-27 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon. Nat Commun, 7, 2016
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5DM6
| Crystal structure of the 50S ribosomal subunit from Deinococcus radiodurans | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ... | Authors: | Kaminishi, T, Schedlbauer, A, Ochoa-Lizarralde, B, Connell, S.R, Fucini, P. | Deposit date: | 2015-09-08 | Release date: | 2015-11-11 | Last modified: | 2016-02-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic characterization of the ribosomal binding site and molecular mechanism of action of Hygromycin A. Nucleic Acids Res., 43, 2015
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5JSB
| Crystal structure of Mcl1-inhibitor complex | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-07 | Release date: | 2016-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
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5JTB
| Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V. | Deposit date: | 2016-05-09 | Release date: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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5NVL
| Crystal structure of the human 4EHP-GIGYF2 complex | Descriptor: | Eukaryotic translation initiation factor 4E type 2, GRB10-interacting GYF protein 2 | Authors: | Peter, D, Valkov, E. | Deposit date: | 2017-05-04 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | GIGYF1/2 proteins use auxiliary sequences to selectively bind to 4EHP and repress target mRNA expression. Genes Dev., 31, 2017
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5NW4
| Human cytoplasmic dynein-1 bound to dynactin and an N-terminal construct of BICD2 | Descriptor: | Arp1, Arp11, BICD2N, ... | Authors: | Zhang, K, Foster, H.E, Carter, A.P. | Deposit date: | 2017-05-05 | Release date: | 2017-08-02 | Last modified: | 2018-11-21 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated. Cell, 169, 2017
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5G53
| Structure of the adenosine A2A receptor bound to an engineered G protein | Descriptor: | ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2016-05-19 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein Nature, 536, 2016
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5O60
| Structure of the 50S large ribosomal subunit from Mycobacterium smegmatis | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Hentschel, J, Burnside, C, Mignot, I, Leibundgut, M, Boehringer, D, Ban, N. | Deposit date: | 2017-06-02 | Release date: | 2017-07-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | The Complete Structure of the Mycobacterium smegmatis 70S Ribosome. Cell Rep, 20, 2017
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5G6J
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5O9T
| HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide | Descriptor: | 1IP-CYS-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ... | Authors: | Dian, C, Meinnel, T, Giglione, C. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern. Nat. Chem. Biol., 14, 2018
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4UGM
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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6ZFZ
| Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Rucktooa, P, Cooke, R.M. | Deposit date: | 2020-06-18 | Release date: | 2021-10-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease. Cell, 184, 2021
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5JZ6
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6ZG9
| Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ... | Authors: | Rucktooa, P, Cooke, R.M. | Deposit date: | 2020-06-18 | Release date: | 2021-10-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease. Cell, 184, 2021
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5G6E
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2016-06-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
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