1NTB
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![BU of 1ntb by Molmil](/molmil-images/mine/1ntb) | 2.9 A crystal structure of Streptomycin RNA-aptamer complex | Descriptor: | 5'-R(*CP*GP*GP*CP*AP*CP*CP*AP*CP*GP*GP*UP*CP*GP*GP*AP*UP*C)-3', 5'-R(*GP*GP*AP*UP*CP*GP*CP*AP*UP*UP*UP*GP*GP*AP*CP*UP*UP*CP*UP*GP*CP*C)-3', MAGNESIUM ION, ... | Authors: | Tereshko, V, Skripkin, E, Patel, D.J. | Deposit date: | 2003-01-29 | Release date: | 2003-05-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Encapsulating Streptomycin within a small 40-mer RNA CHEM.BIOL., 10, 2003
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2CHM
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![BU of 2chm by Molmil](/molmil-images/mine/2chm) | Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ... | Authors: | Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W. | Deposit date: | 2006-03-15 | Release date: | 2006-06-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability J.Med.Chem., 49, 2006
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1NXG
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![BU of 1nxg by Molmil](/molmil-images/mine/1nxg) | The F383A variant of type II Citrate Synthase complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Citrate synthase, SULFATE ION | Authors: | Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D. | Deposit date: | 2003-02-10 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases. Biochemistry, 42, 2003
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2CAY
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![BU of 2cay by Molmil](/molmil-images/mine/2cay) | Vps36 N-terminal PH domain | Descriptor: | SULFATE ION, VACUOLAR PROTEIN SORTING PROTEIN 36 | Authors: | Teo, H, Williams, R.L, Perisic, O, Gill, D.J. | Deposit date: | 2005-12-23 | Release date: | 2006-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Escrt-I Core and Escrt-II Glue Domain Structures Reveal Role for Glue in Linking to Escrt-I and Membranes. Cell(Cambridge,Mass.), 125, 2006
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5IX1
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![BU of 5ix1 by Molmil](/molmil-images/mine/5ix1) | Crystal structure of mouse Morc3 ATPase-CW cassette in complex with AMPPNP and H3K4me3 peptide | Descriptor: | MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Du, J, Patel, D.J. | Deposit date: | 2016-03-23 | Release date: | 2016-08-17 | Last modified: | 2016-09-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mouse MORC3 is a GHKL ATPase that localizes to H3K4me3 marked chromatin Proc.Natl.Acad.Sci.USA, 113, 2016
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2BAS
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![BU of 2bas by Molmil](/molmil-images/mine/2bas) | Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain. | Descriptor: | BETA-MERCAPTOETHANOL, YkuI protein | Authors: | Minasov, G, Brunzelle, J.S, Shuvalova, L, Miller, D.J, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-10-14 | Release date: | 2005-11-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structures of YkuI and its complex with second messenger cyclic Di-GMP suggest catalytic mechanism of phosphodiester bond cleavage by EAL domains. J.Biol.Chem., 284, 2009
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5TMQ
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![BU of 5tmq by Molmil](/molmil-images/mine/5tmq) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate | Descriptor: | 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate, 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 (2.24 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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1O99
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![BU of 1o99 by Molmil](/molmil-images/mine/1o99) | CRYSTAL STRUCTURE OF THE S62A MUTANT OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE | Descriptor: | 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION, ... | Authors: | Rigden, D.J, Lamani, E, Littlejohn, J.E, Jedrzejas, M.J. | Deposit date: | 2002-12-11 | Release date: | 2002-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling J.Mol.Biol., 328, 2003
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5KX0
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![BU of 5kx0 by Molmil](/molmil-images/mine/5kx0) | |
5KWP
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![BU of 5kwp by Molmil](/molmil-images/mine/5kwp) | |
5KX1
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![BU of 5kx1 by Molmil](/molmil-images/mine/5kx1) | |
2ARG
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![BU of 2arg by Molmil](/molmil-images/mine/2arg) | FORMATION OF AN AMINO ACID BINDING POCKET THROUGH ADAPTIVE ZIPPERING-UP OF A LARGE DNA HAIRPIN LOOP, NMR, 9 STRUCTURES | Descriptor: | ARGININEAMIDE, DNA APTAMER [5'-D (*TP*GP*AP*CP*CP*AP*GP*GP*GP*CP*AP*AP*AP*CP*GP*GP*TP*AP* GP*GP*TP*GP*AP*GP*TP*GP*GP*TP*CP*A)-3'] | Authors: | Lin, C.H, Wang, W, Jones, R.A, Patel, D.J. | Deposit date: | 1998-08-19 | Release date: | 1999-03-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Formation of an amino-acid-binding pocket through adaptive zippering-up of a large DNA hairpin loop. Chem.Biol., 5, 1998
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5KVN
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1OB9
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![BU of 1ob9 by Molmil](/molmil-images/mine/1ob9) | Holliday Junction Resolving Enzyme | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, HOLLIDAY JUNCTION RESOLVASE | Authors: | Middleton, C.L, Parker, J.L, Richard, D.J, White, M.F, Bond, C.S. | Deposit date: | 2003-01-28 | Release date: | 2004-10-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate Recognition and Catalysis by the Holliday Junction Resolving Enzyme Hje. Nucleic Acids Res., 32, 2004
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5TLF
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![BU of 5tlf by Molmil](/molmil-images/mine/5tlf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Constrained WAY Derivative, 4-(2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol | Descriptor: | 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, 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: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.204 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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5TLP
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![BU of 5tlp by Molmil](/molmil-images/mine/5tlp) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-BSC Analog, 3-fluorophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate and 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine | Descriptor: | 3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.08 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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5TLM
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![BU of 5tlm by Molmil](/molmil-images/mine/5tlm) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4',4''-(thiophene-2,3,5-triyl)triphenol | Descriptor: | 4,4',4''-(thiene-2,3,5-triyl)triphenol, 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: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.497 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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5TLY
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![BU of 5tly by Molmil](/molmil-images/mine/5tly) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(2-fluoro-4-hydroxyphenyl)thiophene 1,1-dioxide | Descriptor: | 3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione, 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 (2.143 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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1ODT
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![BU of 1odt by Molmil](/molmil-images/mine/1odt) | cephalosporin C deacetylase mutated, in complex with acetate | Descriptor: | ACETATE ION, CEPHALOSPORIN C DEACETYLASE | Authors: | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | Deposit date: | 2003-02-20 | Release date: | 2003-07-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution J.Mol.Biol., 330, 2003
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5TM7
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![BU of 5tm7 by Molmil](/molmil-images/mine/5tm7) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid | Descriptor: | 7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid, 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: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 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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1O98
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![BU of 1o98 by Molmil](/molmil-images/mine/1o98) | 1.4A CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE | Descriptor: | 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION, ... | Authors: | Rigden, D.J, Lamani, E, Littlejohn, J.E, Jedrzejas, M.J. | Deposit date: | 2002-12-11 | Release date: | 2003-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling J.Mol.Biol., 328, 2003
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5TLV
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![BU of 5tlv by Molmil](/molmil-images/mine/5tlv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) | Descriptor: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol), 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: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.323 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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5TM4
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![BU of 5tm4 by Molmil](/molmil-images/mine/5tm4) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | Descriptor: | 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic 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 (2.25 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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5TMW
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![BU of 5tmw by Molmil](/molmil-images/mine/5tmw) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS derivative, 4-acetamidophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Descriptor: | 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, 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 (2.286 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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5TN3
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![BU of 5tn3 by Molmil](/molmil-images/mine/5tn3) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S)-17-((4-isopropylphenyl)amino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | Descriptor: | (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-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 (2.543 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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