5FN0
| Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | Authors: | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | Deposit date: | 2015-11-10 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis. Nat.Med. (N.Y.), 22, 2016
|
|
2ZRS
| Crystal structure of Ca2+-bound form of des3-23ALG-2 | Descriptor: | CALCIUM ION, Programmed cell death protein 6 | Authors: | Suzuki, H, Kawasaki, M, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | Deposit date: | 2008-09-01 | Release date: | 2008-11-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2 ACTA CRYSTALLOGR.,SECT.F, 64, 2008
|
|
5FVV
| Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine | Descriptor: | 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
|
|
1PL8
| human SDH/NAD+ complex | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
|
|
5VMP
| Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714 | Descriptor: | 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | Hosfield, D.J. | Deposit date: | 2017-04-28 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, 8, 2017
|
|
3ANT
| Human soluble epoxide hydrolase in complex with a synthetic inhibitor | Descriptor: | 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2 | Authors: | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | Deposit date: | 2010-09-08 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors J.Med.Chem., 54, 2011
|
|
3ADB
| Crystal structure of O-phosphoseryl-tRNA kinase complexed with selenocysteine tRNA and AMPPNP (crystal type 1) | Descriptor: | L-seryl-tRNA(Sec) kinase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Itoh, Y, Chiba, S, Sekine, S, Yokoyama, S. | Deposit date: | 2010-01-18 | Release date: | 2010-07-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Major Role of O-Phosphoseryl-tRNA Kinase in the UGA-Specific Encoding of Selenocysteine Mol.Cell, 39, 2010
|
|
5VN0
| Water-forming NADH oxidase from Lactobacillus brevis (LbNOX) bound to NADH. | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cracan, V, Grabarek, Z. | Deposit date: | 2017-04-28 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | A genetically encoded tool for manipulation of NADP(+)/NADPH in living cells. Nat. Chem. Biol., 13, 2017
|
|
3KL8
| CaMKIINtide Inhibitor Complex | Descriptor: | Calcium/calmodulin dependent protein kinase II, Calcium/calmodulin-dependent protein kinase II inhibitor 1 | Authors: | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | Deposit date: | 2009-11-06 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.372 Å) | Cite: | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
|
|
5G1F
| Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ... | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | Deposit date: | 2016-03-25 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis To be Published
|
|
5G38
| PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6 | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | Deposit date: | 2016-04-24 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches Biochemistry, 55, 2016
|
|
5VOV
| Structure of AMPA receptor-TARP complex | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | Authors: | Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2017-05-03 | Release date: | 2017-07-12 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM. Cell, 170, 2017
|
|
1Q2T
| Solution structure of d(5mCCTCTCC)4 | Descriptor: | 5'-D(*(MCY)P*CP*TP*CP*TP*CP*C)-3' | Authors: | Leroy, J.-L. | Deposit date: | 2003-07-26 | Release date: | 2003-09-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | T.T pair intercalation and duplex inter-conversion within i-motif tetramers J.Mol.Biol., 333, 2003
|
|
3AF9
| Crystal Structure of Pd(allyl)/apo-C48AFr | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | Authors: | Abe, S, Hikage, T, Watanabe, Y, Kitagawa, S, Ueno, T. | Deposit date: | 2010-02-24 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of Accumulation and Incorporation of Organometallic Pd Complexes into the Protein Nanocage of apo-Ferritin. Inorg.Chem., 49, 2010
|
|
5VND
| Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527 | Descriptor: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ... | Authors: | Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A. | Deposit date: | 2017-04-30 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma. Cancer Res., 77, 2017
|
|
3AMB
| Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-08-18 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase Biochem.J., 440, 2011
|
|
3KOX
| Crystal Structure of ornithine 4,5 aminomutase in complex with 2,4-diaminobutyrate (Anaerobic) | Descriptor: | (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ... | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | Deposit date: | 2009-11-14 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase. J.Biol.Chem., 285, 2010
|
|
3KQ4
| Structure of Intrinsic Factor-Cobalamin bound to its receptor Cubilin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Andersen, C.B.F, Madsen, M, Moestrup, S.K, Andersen, G.R. | Deposit date: | 2009-11-17 | Release date: | 2010-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for receptor recognition of vitamin-B(12)-intrinsic factor complexes. Nature, 464, 2010
|
|
3AIR
| Crystal structure of beta-glucosidase in wheat complexed with 2-deoxy-2-fluoroglucoside and dinitrophenol | Descriptor: | 2,4-DINITROPHENOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
|
|
2O4P
| Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir | Descriptor: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | Authors: | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
|
|
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
|
|
5G6J
| |
3KQM
| Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole | Descriptor: | 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
5G2H
| S. enterica HisA with mutation L169R | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | Authors: | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
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
|
|