4LHO
 
 | | Crystal Structure of FG41Malonate Semialdehyde Decarboxylase inhibited by 3-bromopropiolate | | Descriptor: | 3-chloro-3-oxopropanoic acid, FG41 Malonate Semialdehyde Decarboxylase, PHOSPHATE ION | | Authors: | Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P. | | Deposit date: | 2013-07-01 | | Release date: | 2013-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.224 Å) | | Cite: | Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
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1RMO
 | | Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code | | Descriptor: | wunen-nonfunctional GFP fusion protein | | Authors: | Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T. | | Deposit date: | 2003-11-28 | | Release date: | 2004-06-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
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1RM9
 | | Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code | | Descriptor: | avermectin-sensitive chloride channel GluCl beta/cyan fluorescent protein fusion | | Authors: | Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T. | | Deposit date: | 2003-11-27 | | Release date: | 2004-06-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
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1RMP
 | | Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code | | Descriptor: | SIGF1-GFP fusion protein | | Authors: | Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T. | | Deposit date: | 2003-11-28 | | Release date: | 2004-06-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
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1A8W
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4YI3
 | | Crystal structure of Gpb in complex with 4a | | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | | Authors: | Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D. | | Deposit date: | 2015-02-27 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
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4X6X
 | | Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative | | Descriptor: | 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2 | | Authors: | Chiyo, N, Takai, K, Ishii, T. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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7VHY
 | | Crystal structure of EP300 HAT domain in complex with compound (+)-3 | | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2021-09-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
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1RCV
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1 | | Descriptor: | [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB) | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-04 | | Release date: | 2004-10-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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3C3S
 | | Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | | Deposit date: | 2008-01-28 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
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4M5Z
 | | Crystal structure of broadly neutralizing antibody 5J8 bound to 2009 pandemic influenza hemagglutinin, HA1 subunit | | Descriptor: | Fab 5J8 heavy chain, Fab 5J8 light chain, Hemagglutinin HA1 chain | | Authors: | Hong, M, Lee, P.S, Wilson, I.A. | | Deposit date: | 2013-08-08 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
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3C3T
 | | Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | | Deposit date: | 2008-01-28 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
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2ZBB
 | | P43 crystal of DctBp | | Descriptor: | C4-dicarboxylate transport sensor protein dctB, MALONIC ACID | | Authors: | Zhou, Y.F, Nan, B.Y, Liu, X, Nan, J, Liang, Y.H, Panjikar, S, Ma, Q.J, Wang, Y.P, Su, X.-D. | | Deposit date: | 2007-10-18 | | Release date: | 2008-11-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | crystal structures of sensory histidine kinase DctBp
to be published
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2XYS
 | | Crystal structure of Aplysia californica AChBP in complex with strychnine | | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR, STRYCHNINE | | Authors: | Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C. | | Deposit date: | 2010-11-19 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors.
Plos Biol., 9, 2011
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5G0R
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2XYT
 | | Crystal structure of Aplysia californica AChBP in complex with d- tubocurarine | | Descriptor: | D-TUBOCURARINE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C. | | Deposit date: | 2010-11-19 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors.
Plos Biol., 9, 2011
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5DP2
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6J1M
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2QYT
 | | Crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83 | | Descriptor: | 1,2-ETHANEDIOL, 2-dehydropantoate 2-reductase, SULFATE ION | | Authors: | Tan, K, Wu, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-08-15 | | Release date: | 2007-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83.
To be Published
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1VZI
 | | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction | | Descriptor: | CALCIUM ION, CHLORIDE ION, DESULFOFERRODOXIN, ... | | Authors: | Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D. | | Deposit date: | 2004-05-19 | | Release date: | 2004-08-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
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5L16
 | | Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major | | Descriptor: | Putative selenophosphate synthetase, SULFATE ION | | Authors: | Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
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5BQI
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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5MVR
 | | Crystal structure of Bacillus subtilus YdiB | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Jault, J.-M, Aghajari, N. | | Deposit date: | 2017-01-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | Expanding the Kinome World: A New Protein Kinase Family Widely Conserved in Bacteria.
J. Mol. Biol., 429, 2017
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5M9U
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2WIH
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-05-13 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
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