5TM9
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid | | Descriptor: | 3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TMR
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.296 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TN1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | | Descriptor: | (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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2PZL
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD and UDP | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE | | Authors: | King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L. | | Deposit date: | 2007-05-18 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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5TM1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide | | Descriptor: | 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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8F2F
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5V8E
 | | Structure of Bacillus cereus PatB1 | | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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2PTY
 | | Crystal Structure of the T. brucei enolase complexed with PEP | | Descriptor: | 1,2-ETHANEDIOL, Enolase, PHOSPHOENOLPYRUVATE, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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5VH2
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5VRA
 | | 2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K | | 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: | Broecker, J, Morizumi, T, Ou, W.-L, Klingel, V, Kuo, A, Kissick, D.J, Ishchenko, A, Lee, M.-Y, Xu, S, Makarov, O, Cherezov, V, Ogata, C.M, Ernst, O.P. | | Deposit date: | 2017-05-10 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
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5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-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: | 2017-04-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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2Q1W
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+ | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase | | Authors: | King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L. | | Deposit date: | 2007-05-25 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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2PHK
 | | THE CRYSTAL STRUCTURE OF A PHOSPHORYLASE KINASE PEPTIDE SUBSTRATE COMPLEX: KINASE SUBSTRATE RECOGNITION | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Lowe, E.D, Noble, M.E.M, Skamnaki, V.T, Oikonomakos, N.G, Owen, D.J, Johnson, L.N. | | Deposit date: | 1998-06-18 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of a phosphorylase kinase peptide substrate complex: kinase substrate recognition.
EMBO J., 16, 1997
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5VJJ
 | | Crystal structure of the flax-rust effector AvrP | | Descriptor: | Avirulence protein AvrP123, ZINC ION | | Authors: | Zhang, X, Ericsson, D.J, Williams, S.J, Kobe, B. | | Deposit date: | 2017-04-19 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of the Melampsora lini effector AvrP reveals insights into a possible nuclear function and recognition by the flax disease resistance protein P.
Mol. Plant Pathol., 19, 2018
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2PTA
 | | PANDINUS TOXIN K-A (PITX-KA) FROM PANDINUS IMPERATOR, NMR, 20 STRUCTURES | | Descriptor: | PANDINUS TOXIN K-ALPHA | | Authors: | Tenenholz, T.C, Rogowski, R.S, Collins, J.H, Blaustein, M.P, Weber, D.J. | | Deposit date: | 1996-11-26 | | Release date: | 1997-12-10 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure for Pandinus toxin K-alpha (PiTX-K alpha), a selective blocker of A-type potassium channels.
Biochemistry, 36, 1997
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2PTX
 | | Crystal Structure of the T. brucei enolase complexed with sulphate in closed conformation | | Descriptor: | 1,2-ETHANEDIOL, Enolase, SULFATE ION, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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2PU1
 | | Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH) | | Descriptor: | 1,2-ETHANEDIOL, Enolase, ZINC ION, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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2PZK
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD | | Descriptor: | MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase | | Authors: | King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L. | | Deposit date: | 2007-05-18 | | Release date: | 2007-10-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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1N4N
 | | Structure of the Plant Defensin PhD1 from Petunia Hybrida | | Descriptor: | floral defensin-like protein 1 | | Authors: | Janssen, B.J.C, Schirra, H.J, Lay, F.T, Anderson, M.A, Craik, D.J. | | Deposit date: | 2002-11-01 | | Release date: | 2003-11-01 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structure of Petunia hybrida defensin 1, a novel plant defensin with five disulfide bonds
Biochemistry, 42, 2003
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1N1U
 | | NMR structure of [Ala1,15]kalata B1 | | Descriptor: | kalata B1 | | Authors: | Daly, N.L, Clark, R.J, Craik, D.J. | | Deposit date: | 2002-10-20 | | Release date: | 2003-02-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Disulfide Folding Pathways of Cystine Knot Proteins. TYING THE KNOT WITHIN THE CIRCULAR BACKBONE OF THE CYCLOTIDES
J.Biol.Chem., 278, 2003
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1MVI
 | | N-TYPE CALCIUM CHANNEL BLOCKER, OMEGA-CONOTOXIN MVIIA, NMR, 15 STRUCTURES | | Descriptor: | MVIIA | | Authors: | Nielsen, K.J, Thomas, L, Lewis, R.J, Alewood, P.F, Craik, D.J. | | Deposit date: | 1996-08-02 | | Release date: | 1997-08-12 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | A consensus structure for omega-conotoxins with different selectivities for voltage-sensitive calcium channel subtypes: comparison of MVIIA, SVIB and SNX-202.
J.Mol.Biol., 263, 1996
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1MVJ
 | | N-TYPE CALCIUM CHANNEL BLOCKER, OMEGA-CONOTOXIN MVIIA NMR, 15 STRUCTURES | | Descriptor: | SVIB | | Authors: | Nielsen, K.J, Thomas, L, Lewis, R.J, Alewood, P.F, Craik, D.J. | | Deposit date: | 1996-08-02 | | Release date: | 1997-08-12 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | A consensus structure for omega-conotoxins with different selectivities for voltage-sensitive calcium channel subtypes: comparison of MVIIA, SVIB and SNX-202.
J.Mol.Biol., 263, 1996
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1OWC
 | | Three Dimensional Structure Analysis Of The R109L Variant of the Type II Citrate Synthase From E. Coli | | Descriptor: | Citrate synthase, SULFATE ION | | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | | Deposit date: | 2003-03-28 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli.
J.Biol.Chem., 278, 2003
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1OWB
 | | Three Dimensional Structure Analysis Of The Variant R109L NADH Complex of Type II Citrate Synthase From E. Coli | | Descriptor: | Citrate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | | Deposit date: | 2003-03-28 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli.
J.Biol.Chem., 278, 2003
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1ONT
 | | NMDA RECEPTOR ANTAGONIST, CONANTOKIN-T, NMR, 17 STRUCTURES | | Descriptor: | CONANTOKIN-T | | Authors: | Skjaerbaek, N, Nielsen, K.J, Lewis, R.J, Alewood, P.F, Craik, D.J. | | Deposit date: | 1996-08-27 | | Release date: | 1997-09-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Determination of the solution structures of conantokin-G and conantokin-T by CD and NMR spectroscopy.
J.Biol.Chem., 272, 1997
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