2I3I
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![BU of 2i3i by Molmil](/molmil-images/mine/2i3i) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Fairbrother, W.J, Franklin, M.C. | 登録日 | 2006-08-18 | 公開日 | 2006-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
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8AK2
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![BU of 8ak2 by Molmil](/molmil-images/mine/8ak2) | Drosophila melanogaster UNC89 Protein Kinase Domain 1 (apo) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Obscurin | 著者 | Dorendorf, T, Zacharchenko, T, Mayans, O. | 登録日 | 2022-07-29 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | PK1 from Drosophila obscurin is an inactive pseudokinase with scaffolding properties. Open Biology, 13, 2023
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1R41
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![BU of 1r41 by Molmil](/molmil-images/mine/1r41) | Crystal structures of d(Gm5CGm5CGCGC) and d(GCGCGm5CGm5C): Effects of methylation on alternating DNA octamers | 分子名称: | 5'-D(*GP*CP*GP*CP*GP*(5CM)P*GP*(5CM))-3' | 著者 | Shi, K, Pan, B, Tippin, D, Sundaralingam, M. | 登録日 | 2003-10-03 | 公開日 | 2003-12-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of d(Gm5)CGm5CGCGC) and d(GCGCGm5CGm5C): effects of methylation on alternating DNA octamers. Acta Crystallogr.,Sect.D, 60, 2004
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6WNG
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6WGQ
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![BU of 6wgq by Molmil](/molmil-images/mine/6wgq) | The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-04-06 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T To Be Published
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1R3Z
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![BU of 1r3z by Molmil](/molmil-images/mine/1r3z) | Crystal structures of d(Gm5CGm5CGCGC) and d(GCGCGm5CGm5C): Effects of methylation on alternating DNA octamers | 分子名称: | 5'-D(*GP*(5CM)P*GP*(5CM)P*GP*CP*GP*C)-3' | 著者 | Shi, K, Pan, B, Tippin, D, Sundaralingam, M. | 登録日 | 2003-10-03 | 公開日 | 2003-12-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of d(Gm5)CGm5CGCGC) and d(GCGCGm5CGm5C): effects of methylation on alternating DNA octamers. Acta Crystallogr.,Sect.D, 60, 2004
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6WJP
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![BU of 6wjp by Molmil](/molmil-images/mine/6wjp) | Crystal structure of Arginine Repressor P115Q mutant from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to arginine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ARGININE, ... | 著者 | Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B. | 登録日 | 2020-04-14 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor. Biochim Biophys Acta Gen Subj, 1864, 2020
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6WQ4
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![BU of 6wq4 by Molmil](/molmil-images/mine/6wq4) | Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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2I3H
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![BU of 2i3h by Molmil](/molmil-images/mine/2i3h) | Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | 著者 | Fairbrother, W.J, Franklin, M.C. | 登録日 | 2006-08-18 | 公開日 | 2006-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
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6WEE
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6VTR
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![BU of 6vtr by Molmil](/molmil-images/mine/6vtr) | Crystal structure of G16S human Galectin-7 mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7 | 著者 | Pham, N.T.H, Calmettes, C, Doucet, N. | 登録日 | 2020-02-13 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7. J.Biol.Chem., 297, 2021
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1TDI
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![BU of 1tdi by Molmil](/molmil-images/mine/1tdi) | Crystal Structure of hGSTA3-3 in Complex with Glutathione | 分子名称: | GLUTATHIONE, Glutathione S-transferase A3-3 | 著者 | Gu, Y, Guo, J, Pal, A, Pan, S.S, Zimniak, P, Singh, S.V, Ji, X. | 登録日 | 2004-05-22 | 公開日 | 2005-01-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of human glutathione S-transferase A3-3 and mechanistic implications for its high steroid isomerase activity. Biochemistry, 43, 2004
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4BKO
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![BU of 4bko by Molmil](/molmil-images/mine/4bko) | Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ... | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | 登録日 | 2013-04-29 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv To be Published
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4BKR
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![BU of 4bkr by Molmil](/molmil-images/mine/4bkr) | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | 登録日 | 2013-04-29 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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1VRO
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![BU of 1vro by Molmil](/molmil-images/mine/1vro) | Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure | 分子名称: | 5'-D(*CP*(GMS)P*CP*GP*CP*G)-3', MAGNESIUM ION, SPERMINE | 著者 | Wilds, C.J, Pattanayek, R, Pan, C, Wawrzak, Z, Egli, M. | 登録日 | 2005-04-14 | 公開日 | 2005-04-19 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure J.Am.Chem.Soc., 124, 2002
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4ZSW
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![BU of 4zsw by Molmil](/molmil-images/mine/4zsw) | Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid | 分子名称: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | 著者 | Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D. | 登録日 | 2015-05-14 | 公開日 | 2015-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid. Acs Chem.Biol., 10, 2015
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4ZSY
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![BU of 4zsy by Molmil](/molmil-images/mine/4zsy) | Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid. | 分子名称: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | 著者 | Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D. | 登録日 | 2015-05-14 | 公開日 | 2015-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid. Acs Chem.Biol., 10, 2015
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6SFR
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![BU of 6sfr by Molmil](/molmil-images/mine/6sfr) | SOS1 in Complex with Inhibitor BI-68BS | 分子名称: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | 著者 | Kessler, D, Fischer, G, Ramharter, J. | 登録日 | 2019-08-02 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | 主引用文献 | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition. Cancer Discov, 11, 2021
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8JSD
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4ZRT
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![BU of 4zrt by Molmil](/molmil-images/mine/4zrt) | PTP1BC215S bound to Nephrin peptide substrate | 分子名称: | CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ... | 著者 | Selner, N.G, Bell, C.E, Pei, D. | 登録日 | 2015-05-12 | 公開日 | 2015-06-24 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases. Biochemistry, 53, 2014
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6SCM
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![BU of 6scm by Molmil](/molmil-images/mine/6scm) | SOS1 in Complex with Inhibitor BI-3406 | 分子名称: | 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ... | 著者 | Kessler, D, Fischer, G, Ramharter, J. | 登録日 | 2019-07-24 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.866 Å) | 主引用文献 | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition. Cancer Discov, 11, 2021
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5A95
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![BU of 5a95 by Molmil](/molmil-images/mine/5a95) | Crystal structure of beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 2 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | 登録日 | 2015-07-17 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans J.Biol.Chem., 291, 2016
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4ZZJ
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![BU of 4zzj by Molmil](/molmil-images/mine/4zzj) | SIRT1/Activator/Substrate Complex | 分子名称: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Dai, H. | 登録日 | 2015-05-22 | 公開日 | 2015-07-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7403 Å) | 主引用文献 | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
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5AJC
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![BU of 5ajc by Molmil](/molmil-images/mine/5ajc) | X-ray structure of RSL lectin in complex with sialyl lewis X tetrasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | 著者 | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | 登録日 | 2015-02-20 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins Acs Chem.Biol., 11, 2016
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5AC5
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![BU of 5ac5 by Molmil](/molmil-images/mine/5ac5) | GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GlcNAc | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B. | 登録日 | 2015-08-11 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans. J. Biol. Chem., 290, 2015
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