1H85
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![BU of 1h85 by Molmil](/molmil-images/mine/1h85) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH VAL 136 REPLACED BY LEU (V136L) | Descriptor: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2001-01-24 | Release date: | 2001-11-28 | Last modified: | 2023-12-13 | 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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4YOE
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![BU of 4yoe by Molmil](/molmil-images/mine/4yoe) | Structure of UP1 bound to RNA 5'-AGU-3' | Descriptor: | ACETATE ION, Heterogeneous nuclear ribonucleoprotein A1, RNA AGU, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2015-03-11 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The First Crystal Structure of the UP1 Domain of hnRNP A1 Bound to RNA Reveals a New Look for an Old RNA Binding Protein. J.Mol.Biol., 427, 2015
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4YEW
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![BU of 4yew by Molmil](/molmil-images/mine/4yew) | HUab-19bp | Descriptor: | DNA-binding protein HU-alpha, DNA-binding protein HU-beta, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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4YQY
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![BU of 4yqy by Molmil](/molmil-images/mine/4yqy) | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form | Descriptor: | MAGNESIUM ION, Putative Dehydrogenase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published
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4YS3
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![BU of 4ys3 by Molmil](/molmil-images/mine/4ys3) | Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Dechassa, M.L, Luger, K, Chatterjee, N, North, J.A, Manohar, M, Prasad, R, Ottessen, J.J, Poirier, M.G, Bartholomew, B. | Deposit date: | 2015-03-16 | Release date: | 2015-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Histone Acetylation near the Nucleosome Dyad Axis Enhances Nucleosome Disassembly by RSC and SWI/SNF. Mol.Cell.Biol., 35, 2015
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4YW4
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![BU of 4yw4 by Molmil](/molmil-images/mine/4yw4) | Streptococcus pneumoniae sialidase NanC | Descriptor: | GLYCEROL, Neuraminidase C, PHOSPHATE ION | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a novel sialidase To be published
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4YPZ
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![BU of 4ypz by Molmil](/molmil-images/mine/4ypz) | |
4YPY
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![BU of 4ypy by Molmil](/molmil-images/mine/4ypy) | |
4YQU
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![BU of 4yqu by Molmil](/molmil-images/mine/4yqu) | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide | Authors: | Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun, 7, 2016
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4YQG
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![BU of 4yqg by Molmil](/molmil-images/mine/4yqg) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Williams, S.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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1GRO
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![BU of 1gro by Molmil](/molmil-images/mine/1gro) | |
4YW1
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![BU of 4yw1 by Molmil](/molmil-images/mine/4yw1) | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with 3'SL | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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4YW3
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![BU of 4yw3 by Molmil](/molmil-images/mine/4yw3) | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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1H01
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![BU of 1h01 by Molmil](/molmil-images/mine/1h01) | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-10 | Release date: | 2003-07-11 | Last modified: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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4YBJ
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![BU of 4ybj by Molmil](/molmil-images/mine/4ybj) | Type II Dasatinib Analog Crystallized with c-Src Kinase | Descriptor: | 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-18 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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4YQK
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![BU of 4yqk by Molmil](/molmil-images/mine/4yqk) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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4YKU
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![BU of 4yku by Molmil](/molmil-images/mine/4yku) | Heat Shock Protein 90 Bound to CS311 | Descriptor: | 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS311 To Be Published
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1GUM
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![BU of 1gum by Molmil](/molmil-images/mine/1gum) | HUMAN GLUTATHIONE TRANSFERASE A4-4 WITHOUT LIGANDS | Descriptor: | PROTEIN (GLUTATHIONE TRANSFERASE A4-4) | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | Deposit date: | 1998-06-11 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products J.Mol.Biol., 288, 1999
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4YV7
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![BU of 4yv7 by Molmil](/molmil-images/mine/4yv7) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL | Descriptor: | GLYCEROL, Periplasmic binding protein/LacI transcriptional regulator | Authors: | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-19 | Release date: | 2015-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL To be published
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1GNN
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![BU of 1gnn by Molmil](/molmil-images/mine/1gnn) | HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1GNM
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![BU of 1gnm by Molmil](/molmil-images/mine/1gnm) | HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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1GUC
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![BU of 1guc by Molmil](/molmil-images/mine/1guc) | |
4ZNS
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![BU of 4zns by Molmil](/molmil-images/mine/4zns) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative | Descriptor: | 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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1GWY
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![BU of 1gwy by Molmil](/molmil-images/mine/1gwy) | Crystal structure of the water-soluble state of the pore-forming cytolysin Sticholysin II | Descriptor: | STICHOLYSIN II, SULFATE ION | Authors: | Mancheno, J.M, Martin-Benito, J, Martinez-Ripoll, M, Gavilanes, J.G, Hermoso, J.A. | Deposit date: | 2002-03-26 | Release date: | 2003-06-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal and Electron Microscopy Structures of Sticholysin II Actinoporin Reveal Insights Into the Mechanism of Membrane Pore Formation Structure, 11, 2003
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4YZ3
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![BU of 4yz3 by Molmil](/molmil-images/mine/4yz3) | Crystal Structure of Streptococcus pneumoniae NanC, in complex with Oseltamivir. | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase, SULFATE ION | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | Deposit date: | 2015-03-24 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of Streptococcus pneumoniae NanC. To Be Published
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