2O1Y
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![BU of 2o1y by Molmil](/molmil-images/mine/2o1y) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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5NU5
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![BU of 5nu5 by Molmil](/molmil-images/mine/5nu5) | |
5HDA
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![BU of 5hda by Molmil](/molmil-images/mine/5hda) | |
2O3P
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![BU of 2o3p by Molmil](/molmil-images/mine/2o3p) | Crystal structure of Pim1 with Quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | Deposit date: | 2006-12-01 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase. Mol.Cancer Ther., 6, 2007
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2O4I
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![BU of 2o4i by Molmil](/molmil-images/mine/2o4i) | Structure of TREX1 in complex with DNA | Descriptor: | 5'-D(*GP*CP*TP*AP*GP*GP*CP*AP*GP*GP*AP*AP*CP*CP*CP*CP*TP*CP*CP*TP*CP*CP*CP*CP*T)-3', Three prime repair exonuclease 1 | Authors: | Brucet, M, Macias, M.J, Fita, I, Celada, A. | Deposit date: | 2006-12-04 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of the dimeric exonuclease TREX1 in complex with DNA displays a proline-rich binding site for WW Domains. J.Biol.Chem., 282, 2007
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7FTI
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![BU of 7fti by Molmil](/molmil-images/mine/7fti) | Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-(4-fluorophenyl)-2-methylpyrazole-3-carboxylic acid | Descriptor: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | Deposit date: | 2023-02-08 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
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221L
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2O65
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![BU of 2o65 by Molmil](/molmil-images/mine/2o65) | Crystal structure of Pim1 with Pentahydroxyflavone | Descriptor: | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | Deposit date: | 2006-12-06 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase. Mol.Cancer Ther., 6, 2007
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5DE0
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![BU of 5de0 by Molmil](/molmil-images/mine/5de0) | Dye-decolorizing protein from V. cholerae | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Uchida, T, Sasaki, M, Tanaka, Y, Yao, M. | Deposit date: | 2015-08-25 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | A Dye-Decolorizing Peroxidase from Vibrio cholerae. Biochemistry, 54, 2015
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6CW3
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![BU of 6cw3 by Molmil](/molmil-images/mine/6cw3) | Crystal structure of a yeast SAGA transcriptional coactivator Ada2/Gcn5 HAT subcomplex, crystal form 2 | Descriptor: | Histone acetyltransferase GCN5, Transcriptional adapter 2, ZINC ION, ... | Authors: | Sun, J, Paduch, M, Kim, S.A, Kramer, R.M, Barrios, A.F, Lu, V, Luke, J, Usatyuk, S, Kossiakoff, A.A, Tan, S. | Deposit date: | 2018-03-29 | Release date: | 2018-09-19 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7FU3
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![BU of 7fu3 by Molmil](/molmil-images/mine/7fu3) | Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | Descriptor: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | Deposit date: | 2023-02-08 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
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3P8H
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![BU of 3p8h by Molmil](/molmil-images/mine/3p8h) | Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist | Descriptor: | 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ... | Authors: | Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-13 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Small-molecule ligands of methyl-lysine binding proteins. J.Med.Chem., 54, 2011
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2O12
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7FUO
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![BU of 7fuo by Molmil](/molmil-images/mine/7fuo) | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-chlorophenyl)methylamino]-5-[(2-fluoroanilino)methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | Descriptor: | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | Deposit date: | 2023-02-08 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
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1V6J
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![BU of 1v6j by Molmil](/molmil-images/mine/1v6j) | peanut lectin-lactose complex crystallized in orthorhombic form at acidic pH | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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2PJQ
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![BU of 2pjq by Molmil](/molmil-images/mine/2pjq) | Crystal structure of Q88U62_LACPL from Lactobacillus plantarum. Northeast Structural Genomics target LpR71 | Descriptor: | Uncharacterized protein lp_2664 | Authors: | Benach, J, Su, M, Seetharaman, J, Forouhar, F, Chen, C.X, Cunningham, K, Ma, L.-C, Owens, L, Baran, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-04-16 | Release date: | 2007-05-01 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Q88U62_LACPL from Lactobacillus plantarum. To be Published
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2PLL
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![BU of 2pll by Molmil](/molmil-images/mine/2pll) | Crystal structure of perdeuterated human arginase I | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1 | Authors: | Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W. | Deposit date: | 2007-04-19 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expression, purification, assay, and crystal structure of perdeuterated human arginase I Arch.Biochem.Biophys., 465, 2007
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2PMB
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![BU of 2pmb by Molmil](/molmil-images/mine/2pmb) | Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae | Descriptor: | GLYCEROL, PHOSPHATE ION, Uncharacterized protein | Authors: | Patskovsky, Y, Zhan, C, Shi, W, Toro, R, Sauder, J.M, Gilmore, J, Iizuka, M, Maletic, M, Gheyi, T, Wasserman, S.R, Smith, D, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-04-20 | Release date: | 2007-05-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure of Predicted Nucleotide-Binding Protein from Vibrio Cholerae. To be Published
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1LJH
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5C5I
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![BU of 5c5i by Molmil](/molmil-images/mine/5c5i) | Crystal structure of NADP-dependent dehydrogenase from Rhodobacter sphaeroides | Descriptor: | NADP-dependent dehydrogenase | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Cymborowski, M, Al Obaidi, N.F, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-06-19 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of NADP-dependent dehydrogenase from Rhodobacter sphaeroides to be published
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6CT8
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6U0S
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![BU of 6u0s by Molmil](/molmil-images/mine/6u0s) | Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ... | Authors: | Shi, R, Manenda, M. | Deposit date: | 2019-08-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations. J.Biol.Chem., 295, 2020
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6GHK
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![BU of 6ghk by Molmil](/molmil-images/mine/6ghk) | Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527 | Descriptor: | Poly [ADP-ribose] polymerase 1, SULFATE ION, ~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Moche, M, Brock, J, Ekblad, T, Spjut, S, Elofsson, M, Schuler, H. | Deposit date: | 2018-05-08 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527 To Be Published
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1LJG
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1XMG
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![BU of 1xmg by Molmil](/molmil-images/mine/1xmg) | Crystal structure of apo methane monooxygenase hydroxylase from M. capsulatus (Bath) | Descriptor: | CALCIUM ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | Authors: | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | Deposit date: | 2004-10-02 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) Biochemistry, 43, 2004
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