7RS7
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 | Descriptor: | (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-11 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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3P2Q
| Crystal structure of the fluoroacetyl-CoA-specific thioesterase, FlK | Descriptor: | Fluoroacetyl coenzyme A thioesterase | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | Deposit date: | 2010-10-03 | Release date: | 2010-10-20 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity. Biochemistry, 49, 2010
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1KZX
| Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (T54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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3P3F
| Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK | Descriptor: | Fluoroacetyl coenzyme A thioesterase | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | Deposit date: | 2010-10-04 | Release date: | 2010-10-20 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity. Biochemistry, 49, 2010
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3P93
| Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-10-15 | Release date: | 2011-10-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate To be Published
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7RMI
| SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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7RMG
| Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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7RMH
| Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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3OWX
| X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | Descriptor: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2010-09-20 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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1VZS
| Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria | Descriptor: | ATP SYNTHASE COUPLING FACTOR 6, MITOCHONDRIAL PRECURSOR | Authors: | Carbajo, R.J, Silvester, J.A, Runswick, M.J, Walker, J.E, Neuhaus, D. | Deposit date: | 2004-05-25 | Release date: | 2004-09-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Subunit F(6) from the Peripheral Stalk Region of ATP Synthase from Bovine Heart Mitochondria J.Mol.Biol., 342, 2004
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1MDZ
| Crystal structure of ArnB aminotransferase with cycloserine and pyridoxal 5' phosphate | Descriptor: | ArnB aminotransferase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | Deposit date: | 2002-08-07 | Release date: | 2002-12-11 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme Structure, 10, 2002
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3ORX
| PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8 | Descriptor: | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION | Authors: | Sadowsky, J.D, Wells, J.A. | Deposit date: | 2010-09-08 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2044 Å) | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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3OX3
| X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2010-09-21 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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1WO3
| Solution structure of Minimal Mutant 1 (MM1): Multiple alanine mutant of non-native CHANCE domain | Descriptor: | CREB Binding Protein, ZINC ION | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | Deposit date: | 2004-08-12 | Release date: | 2005-03-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting Structure, 13, 2005
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3P22
| Crystal structure of the ENE, a viral RNA stability element, in complex with A9 RNA | Descriptor: | Core ENE hairpin from KSHV PAN RNA, oligo(A)9 RNA | Authors: | Mitton-Fry, R.M, DeGregorio, S.J, Wang, J, Steitz, T.A, Steitz, J.A. | Deposit date: | 2010-10-01 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Poly(A) tail recognition by a viral RNA element through assembly of a triple helix. Science, 330, 2010
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3P3B
| CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE | Descriptor: | D(-)-TARTARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | Authors: | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-10-04 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE. To be Published
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3P61
| Crystal structure of the mutant R160A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-10-11 | Release date: | 2011-09-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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1W3B
| The superhelical TPR domain of O-linked GlcNAc transferase reveals structural similarities to importin alpha. | Descriptor: | CALCIUM ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 | Authors: | Jinek, M, Rehwinkel, J, Lazarus, B.D, Izaurralde, E, Hanover, J.A, Conti, E. | Deposit date: | 2004-07-14 | Release date: | 2004-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Superhelical Tpr-Repeat Domain of O-Linked Glcnac Transferase Exhibits Structural Similarities to Importin Alpha Nat.Struct.Mol.Biol., 11, 2004
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1W3G
| Hemolytic lectin from the mushroom Laetiporus sulphureus complexed with two N-acetyllactosamine molecules. | Descriptor: | GLYCEROL, HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A. | Deposit date: | 2004-07-15 | Release date: | 2005-02-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars J.Biol.Chem., 280, 2005
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3P5Z
| Crystal structure of the mutant T159S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, N-PROPANOL, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-10-11 | Release date: | 2011-09-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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3OS8
| Estrogen Receptor | Descriptor: | 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2010-09-08 | Release date: | 2010-11-10 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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3OVM
| X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A. | Deposit date: | 2010-09-16 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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7R9V
| Structure of PIK3CA with covalent inhibitor 19 | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha. J.Am.Chem.Soc., 144, 2022
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7R9Y
| Structure of PIK3CA with covalent inhibitor 22 | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha. J.Am.Chem.Soc., 144, 2022
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3OTU
| PDK1 mutant bound to allosteric disulfide fragment activator JS30 | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ... | Authors: | Sadowsky, J.D, Wells, J.A. | Deposit date: | 2010-09-13 | Release date: | 2011-03-23 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1013 Å) | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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