3SR5
 
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3SRW
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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2DDO
 | | Crystal Structure of Pyridoxal Kinase from the Escherichia coli pdxK gene at 2.6 A resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | | Deposit date: | 2006-02-02 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of pyridoxal kinase from the Escherichia coli pdxK gene: implications for the classification of pyridoxal kinases.
J.Bacteriol., 188, 2006
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6K87
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7W0G
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | | Descriptor: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2021-11-18 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.443 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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1AS8
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1BFA
 | | RECOMBINANT BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE | | Descriptor: | BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR | | Authors: | Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C. | | Deposit date: | 1998-05-13 | | Release date: | 1998-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution.
Biochemistry, 37, 1998
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6K82
 | | RGLG1 mutant-D338A E378A | | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | RGLG1 mutant-D338A E378A
To Be Published
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6K89
 | | The closed state of RGLG1 VWA domain | | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | The closed state of RGLG1 VWA domain
To Be Published
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2OP7
 | | WW4 | | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP1 | | Authors: | Qin, H.N, Li, M.F, Pu, H, Sankaran, S, Ahmed, S, Song, J.X. | | Deposit date: | 2007-01-27 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the forth WW domain of WWP1
To be Published
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2DDG
 | | Crystal structure of uracil-DNA glycosylase in complex with AP:G containing DNA | | Descriptor: | 5'-D(*AP*TP*GP*TP*TP*GP*CP*(D1P)P*TP*TP*AP*GP*TP*CP*C)-3', 5'-D(*GP*GP*AP*CP*TP*AP*AP*GP*GP*CP*AP*AP*CP*A)-3', ACETATE ION, ... | | Authors: | Kosaka, H, Nakagawa, N, Masui, R, Hoseki, J, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-01-28 | | Release date: | 2007-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of family 5 uracil-DNA glycosylase bound to DNA.
J.Mol.Biol., 373, 2007
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2DDM
 | | Crystal Structure of Pyridoxal Kinase from the Escherichia coli PdxK gene at 2.1 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyridoxine kinase | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | | Deposit date: | 2006-02-02 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of pyridoxal kinase from the Escherichia coli pdxK gene: implications for the classification of pyridoxal kinases.
J.Bacteriol., 188, 2006
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3OE4
 | | Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-08-12 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
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6K83
 | | Structure of RGLG1 mutant-D207G | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | RGLG1 mutant-D207G
To Be Published
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4XFC
 | | cysteine dioxygenase variant - Y157F at pH 6.2 unliganded | | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Driggers, C.M, Karplus, P.A. | | Deposit date: | 2014-12-26 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
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3OE5
 | | Rat catechol O-methyltransferase in complex with a catechol-type, pyridylsulfanyl-containing inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-08-12 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
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2WNC
 | | Crystal structure of Aplysia ACHBP in complex with tropisetron | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, Soluble acetylcholine receptor | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-08 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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2PB7
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3OLT
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4O2A
 | | Tubulin-BAL27862 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
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4I2W
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5MO9
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1CE9
 | | HELIX CAPPING IN THE GCN4 LEUCINE ZIPPER | | Descriptor: | PROTEIN (GCN4-PMSE) | | Authors: | Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R. | | Deposit date: | 1999-03-18 | | Release date: | 1999-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Helix capping in the GCN4 leucine zipper.
J.Mol.Biol., 288, 1999
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3OZS
 | | Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
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1CMT
 | | THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1995-04-11 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase.
Protein Sci., 4, 1995
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