4IW8
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![BU of 4iw8 by Molmil](/molmil-images/mine/4iw8) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0375 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4AYC
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![BU of 4ayc by Molmil](/molmil-images/mine/4ayc) | RNF8 RING domain structure | Descriptor: | CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF8, GLYCEROL, ... | Authors: | Mattiroli, F, Vissers, J.H.A, Van Dijk, W.J, Ikpa, P, Citterio, E, Vermeulen, W, Marteijn, J.A, Sixma, T.K. | Deposit date: | 2012-06-20 | Release date: | 2012-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rnf168 Ubiquitinates K13-15 on H2A/H2Ax to Drive DNA Damage Signaling Cell(Cambridge,Mass.), 150, 2012
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4ISD
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![BU of 4isd by Molmil](/molmil-images/mine/4isd) | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione | Descriptor: | GLUTATHIONE, Glutathione S-transferase | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-01-16 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione TO BE PUBLISHED
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3NQC
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![BU of 3nqc by Molmil](/molmil-images/mine/3nqc) | Crystal structure of the mutant I96S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site. Biochemistry, 50, 2011
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4J2F
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![BU of 4j2f by Molmil](/molmil-images/mine/4j2f) | Crystal structure of a glutathione transferase family member from Ricinus communis, target EFI-501866 | Descriptor: | GLYCEROL, Glutathione s-transferase | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-02-04 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a glutathione transferase family member from Ricinus communis, target EFI-501866 TO BE PUBLISHED
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4IVF
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![BU of 4ivf by Molmil](/molmil-images/mine/4ivf) | Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit | Descriptor: | CITRIC ACID, GLUTATHIONE, Putative uncharacterized protein | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-01-22 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit To be Published
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4C1X
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![BU of 4c1x by Molmil](/molmil-images/mine/4c1x) | Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 6'-sialyllactose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, SIALIDASE A | Authors: | Yang, L, Connaris, H, Potter, J.A, Taylor, G.L. | Deposit date: | 2013-08-14 | Release date: | 2014-09-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural Characterization of the Carbohydrate-Binding Module of Nana Sialidase, a Pneumococcal Virulence Factor. Bmc Struct.Biol., 15, 2015
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4BP7
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![BU of 4bp7 by Molmil](/molmil-images/mine/4bp7) | Asymmetric structure of a virus-receptor complex | Descriptor: | COAT PROTEIN | Authors: | Dent, K.C, Thompson, R, Barker, A.M, Barr, J.N, Hiscox, J.A, Stockley, P.G, Ranson, N.A. | Deposit date: | 2013-05-23 | Release date: | 2013-07-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (39 Å) | Cite: | The Asymmetric Structure of an Icosahedral Virus Bound its Receptor Suggests a Mechanism for Genome Release. Structure, 21, 2013
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4IUI
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![BU of 4iui by Molmil](/molmil-images/mine/4iui) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a | Descriptor: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-21 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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3O6H
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![BU of 3o6h by Molmil](/molmil-images/mine/3o6h) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-29 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization. Bioorg.Med.Chem.Lett., 20, 2010
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4C43
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![BU of 4c43 by Molmil](/molmil-images/mine/4c43) | FERREDOXIN NADP REDUCTASE MUTANT WITH GLU 103 REPLACED BY TYR, TYR 104 REPLACED BY PHE, SER 109 REPLACED BY PHE AND GLY 110 REPLACED BY PRO (E103Y-Y104F-S109F-G110P) | Descriptor: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2013-08-29 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | External Loops at the Ferredoxin-Nadp(+) Reductase Protein-Partner Binding Cavity Contribute to Substrates Allocation. Biochim.Biophys.Acta, 1837, 2013
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4BV6
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![BU of 4bv6 by Molmil](/molmil-images/mine/4bv6) | Refined crystal structure of the human Apoptosis inducing factor | Descriptor: | APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M. | Deposit date: | 2013-06-25 | Release date: | 2014-09-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor. Biochemistry, 53, 2014
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1Q6L
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![BU of 1q6l by Molmil](/molmil-images/mine/1q6l) | Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | Deposit date: | 2003-08-13 | Release date: | 2003-10-28 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily Biochemistry, 42, 2003
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4CFP
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![BU of 4cfp by Molmil](/molmil-images/mine/4cfp) | Crystal structure of MltC in complex with tetrasaccharide at 2.15 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Bernardo-Garcia, N, Artola-Recolons, C, Hermoso, J.A. | Deposit date: | 2013-11-19 | Release date: | 2014-07-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli. Acs Chem.Biol., 9, 2014
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1BGA
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![BU of 1bga by Molmil](/molmil-images/mine/1bga) | |
1AQ1
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![BU of 1aq1 by Molmil](/molmil-images/mine/1aq1) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE | Descriptor: | CYCLIN-DEPENDENT PROTEIN KINASE 2, STAUROSPORINE | Authors: | Endicott, J.A, Noble, M.E.M, Johnson, L.N, Lawrie, A, Tunnah, P, Brown, N.R. | Deposit date: | 1997-08-05 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2. Nat.Struct.Biol., 4, 1997
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1LW3
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![BU of 1lw3 by Molmil](/molmil-images/mine/1lw3) | Crystal Structure of Myotubularin-related protein 2 complexed with phosphate | Descriptor: | Myotubularin-related protein 2, PHOSPHATE ION | Authors: | Begley, M.J, Taylor, G.S, Kim, S.-A, Veine, D.M, Dixon, J.E, Stuckey, J.A. | Deposit date: | 2002-05-30 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of a Phosphoinositide Phosphatase, MTMR2: Insights into Myotubular Myopathy and Charcot-Marie-Tooth Syndrome Mol.Cell, 12, 2003
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1QXT
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![BU of 1qxt by Molmil](/molmil-images/mine/1qxt) | Crystal structure of precyclized intermediate for the green fluorescent protein R96A variant (A) | Descriptor: | green-fluorescent protein | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2003-09-08 | Release date: | 2003-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures Proc.Natl.Acad.Sci.USA, 100
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1QY3
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![BU of 1qy3 by Molmil](/molmil-images/mine/1qy3) | Crystal structure of precyclized intermediate for the green fluorescent protein R96A variant (B) | Descriptor: | green-fluorescent protein | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2003-09-09 | Release date: | 2003-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures. Proc.Natl.Acad.Sci.Usa, 100, 2003
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1LYJ
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![BU of 1lyj by Molmil](/molmil-images/mine/1lyj) | DISSECTION OF HELIX CAPPING IN T4 LYSOZYME BY STRUCTURAL AND THERMODYNAMIC ANALYSIS OF SIX AMINO ACID SUBSTITUTIONS AT THR 59 | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Becktel, W.J, Sauer, U, Baase, W.A, Matthews, B.W. | Deposit date: | 1992-08-10 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissection of helix capping in T4 lysozyme by structural and thermodynamic analysis of six amino acid substitutions at Thr 59. Biochemistry, 31, 1992
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1QGZ
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![BU of 1qgz by Molmil](/molmil-images/mine/1qgz) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH LEU 78 REPLACED BY ASP (L78D) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (FERREDOXIN:NADP+ REDUCTASE), SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 1999-05-10 | Release date: | 2002-02-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of a cluster of hydrophobic residues near the FAD cofactor in Anabaena PCC 7119 ferredoxin-NADP+ reductase for optimal complex formation and electron transfer to ferredoxin. J.Biol.Chem., 276, 2001
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3NQD
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![BU of 3nqd by Molmil](/molmil-images/mine/3nqd) | Crystal structure of the mutant I96T of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site. Biochemistry, 50, 2011
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1LUV
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![BU of 1luv by Molmil](/molmil-images/mine/1luv) | CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn] | Authors: | Hearn, A.S, Stroupe, M.E, Ramilo, C.A, Luba, J.P, Cabelli, D.E, Tainer, J.A, Silverman, D.N. | Deposit date: | 2002-05-23 | Release date: | 2002-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Catalytic and structural effects of amino acid substitution at histidine 30 in human manganese superoxide dismutase: insertion of valine C gamma into the substrate access channel Biochemistry, 42, 2003
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1QMZ
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![BU of 1qmz by Molmil](/molmil-images/mine/1qmz) | PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN A, ... | Authors: | Brown, N.R, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 1999-10-11 | Release date: | 1999-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structural Basis for Specificity of Substrate and Recruitment Peptides for Cyclin-Dependent Kinases Nat.Cell Biol., 1, 1999
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1OIY
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![BU of 1oiy by Molmil](/molmil-images/mine/1oiy) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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