2OJ0
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![BU of 2oj0 by Molmil](/molmil-images/mine/2oj0) | Crystal structure of the duplex form of the HIV-1(LAI) RNA dimerization initiation site MN soaked | 分子名称: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3', MANGANESE (II) ION, POTASSIUM ION, ... | 著者 | Ennifar, E, Walter, P, Dumas, P. | 登録日 | 2007-01-12 | 公開日 | 2007-12-25 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Cation-dependent cleavage of the duplex form of the subtype-B HIV-1 RNA dimerization initiation site. Nucleic Acids Res., 38, 2010
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4YY5
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![BU of 4yy5 by Molmil](/molmil-images/mine/4yy5) | |
5E8J
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1H67
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![BU of 1h67 by Molmil](/molmil-images/mine/1h67) | NMR Structure of the CH Domain of Calponin | 分子名称: | CALPONIN ALPHA | 著者 | Bramham, J, Smith, B.O, Uhrin, D, Barlow, P.N, Winder, S.J. | 登録日 | 2001-06-07 | 公開日 | 2002-02-14 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of the Calponin Ch Domain and Fitting to the 3D-Helical Reconstruction of F-Actin:Calponin. Structure, 10, 2002
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4Z1K
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![BU of 4z1k by Molmil](/molmil-images/mine/4z1k) | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | 分子名称: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | 登録日 | 2015-03-27 | 公開日 | 2015-08-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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2XCN
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![BU of 2xcn by Molmil](/molmil-images/mine/2xcn) | Crystal structure of HCV NS3 protease with a boronate inhibitor | 分子名称: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | 登録日 | 2010-04-23 | 公開日 | 2010-06-02 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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6CAJ
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![BU of 6caj by Molmil](/molmil-images/mine/6caj) | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens | 分子名称: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | 著者 | Tsai, J.C, Miller-Vedam, L.E, Anand, A.A, Jaishankar, P, Nguyen, H.C, Renslo, A.R, Frost, A, Walter, P. | 登録日 | 2018-01-31 | 公開日 | 2018-04-11 | 最終更新日 | 2019-11-20 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structure of the nucleotide exchange factor eIF2B reveals mechanism of memory-enhancing molecule. Science, 359, 2018
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5FFY
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![BU of 5ffy by Molmil](/molmil-images/mine/5ffy) | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | 分子名称: | 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin | 著者 | Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | 登録日 | 2015-12-19 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand To Be Published
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4R6Q
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![BU of 4r6q by Molmil](/molmil-images/mine/4r6q) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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6NDB
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5FG4
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![BU of 5fg4 by Molmil](/molmil-images/mine/5fg4) | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe | 分子名称: | 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Peregrin | 著者 | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | 登録日 | 2015-12-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe To Be Published
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5K5E
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![BU of 5k5e by Molmil](/molmil-images/mine/5k5e) | Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | De la Mora, E, Dighe, S.N, Deora, G.S, Ross, B.P, Nachon, F, Brazzolotto, X. | 登録日 | 2016-05-23 | 公開日 | 2016-07-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening. J.Med.Chem., 59, 2016
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1H51
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![BU of 1h51 by Molmil](/molmil-images/mine/1h51) | Oxidised Pentaerythritol Tetranitrate Reductase (SCN complex) | 分子名称: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, THIOCYANATE ION | 著者 | Barna, T, Moody, P.C.E. | 登録日 | 2001-05-17 | 公開日 | 2003-10-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme J.Mol.Biol., 310, 2001
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1UL3
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![BU of 1ul3 by Molmil](/molmil-images/mine/1ul3) | Crystal Structure of PII from Synechocystis sp. PCC 6803 | 分子名称: | CALCIUM ION, GLYCEROL, Nitrogen regulatory protein P-II | 著者 | Xu, Y, Carr, P.D, Clancy, P, Garcia-Dominguez, M, Forchhammer, K, Florencio, F, Tandeau de Marsac, N, Vasudevan, S.G, Ollis, D.L. | 登録日 | 2003-09-09 | 公開日 | 2003-12-16 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structures of the PII proteins from the cyanobacteria Synechococcus sp. PCC 7942 and Synechocystis sp. PCC 6803. Acta Crystallogr.,Sect.D, 59, 2003
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2XCF
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![BU of 2xcf by Molmil](/molmil-images/mine/2xcf) | Crystal structure of HCV NS3 protease with a boronate inhibitor | 分子名称: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | 登録日 | 2010-04-22 | 公開日 | 2010-06-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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8EEC
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1UL9
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![BU of 1ul9 by Molmil](/molmil-images/mine/1ul9) | CGL2 ligandfree | 分子名称: | galectin-2 | 著者 | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | 登録日 | 2003-09-12 | 公開日 | 2004-04-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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6BO2
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![BU of 6bo2 by Molmil](/molmil-images/mine/6bo2) | Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL | 分子名称: | CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ... | 著者 | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | 登録日 | 2017-11-17 | 公開日 | 2018-05-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct. Chem. Commun. (Camb.), 54, 2018
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5JPL
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![BU of 5jpl by Molmil](/molmil-images/mine/5jpl) | LP2006, a handcuff-topology lasso peptide antibiotic | 分子名称: | Uncharacterized protein | 著者 | Tietz, J.I, Schwalen, C.J, Blair, P.M, Zakai, U.I, Mitchell, D.A. | 登録日 | 2016-05-03 | 公開日 | 2017-03-01 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | A new genome-mining tool redefines the lasso peptide biosynthetic landscape. Nat. Chem. Biol., 13, 2017
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6BOY
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![BU of 6boy by Molmil](/molmil-images/mine/6boy) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC. | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ... | 著者 | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | 登録日 | 2017-11-21 | 公開日 | 2018-05-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.33 Å) | 主引用文献 | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
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1ULC
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![BU of 1ulc by Molmil](/molmil-images/mine/1ulc) | CGL2 in complex with lactose | 分子名称: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | 著者 | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | 登録日 | 2003-09-12 | 公開日 | 2004-04-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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1ULF
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![BU of 1ulf by Molmil](/molmil-images/mine/1ulf) | CGL2 in complex with Blood Group A tetrasaccharide | 分子名称: | alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | 著者 | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | 登録日 | 2003-09-12 | 公開日 | 2004-04-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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7V18
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![BU of 7v18 by Molmil](/molmil-images/mine/7v18) | Factor XIa in Complex with Compound 3f | 分子名称: | 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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1KR7
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![BU of 1kr7 by Molmil](/molmil-images/mine/1kr7) | Crystal structure of the nerve tissue mini-hemoglobin from the nemertean worm Cerebratulus lacteus | 分子名称: | ACETATE ION, Neural globin, OXYGEN MOLECULE, ... | 著者 | Pesce, A, Nardini, M, Dewilde, S, Geuens, E, Yamauchi, k, Ascenzi, P, Riggs, A.F, Moens, L, Bolognesi, M. | 登録日 | 2002-01-09 | 公開日 | 2002-05-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The 109 residue nerve tissue minihemoglobin from Cerebratulus lacteus highlights striking structural plasticity of the alpha-helical globin fold Structure, 10, 2002
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1ULE
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![BU of 1ule by Molmil](/molmil-images/mine/1ule) | CGL2 in complex with linear B2 trisaccharide | 分子名称: | alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, galectin-2 | 著者 | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | 登録日 | 2003-09-12 | 公開日 | 2004-04-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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