6UH3
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![BU of 6uh3 by Molmil](/molmil-images/mine/6uh3) | Crystal structure of bacterial heliorhodopsin 48C12 | 分子名称: | DI(HYDROXYETHYL)ETHER, Heliorhodopsin, PALMITIC ACID, ... | 著者 | Lu, Y, Zhou, X.E, Gao, X, Xia, R, Xu, Z, Wang, N, Leng, Y, Melcher, K, Xu, H.E, He, Y. | 登録日 | 2019-09-26 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of heliorhodopsin 48C12. Cell Res., 30, 2020
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7CB2
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6U0J
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![BU of 6u0j by Molmil](/molmil-images/mine/6u0j) | Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP | 分子名称: | 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ... | 著者 | Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P. | 登録日 | 2019-08-14 | 公開日 | 2020-07-22 | 最終更新日 | 2020-10-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD. Proc.Natl.Acad.Sci.USA, 117, 2020
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7CDC
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![BU of 7cdc by Molmil](/molmil-images/mine/7cdc) | Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | 登録日 | 2020-06-19 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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6UKV
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![BU of 6ukv by Molmil](/molmil-images/mine/6ukv) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | 分子名称: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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7CDF
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![BU of 7cdf by Molmil](/molmil-images/mine/7cdf) | Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | 登録日 | 2020-06-19 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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6UL6
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6ULQ
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![BU of 6ulq by Molmil](/molmil-images/mine/6ulq) | BRD2-BD1 in complex with the cyclic peptide 4.2_3 | 分子名称: | Bromodomain-containing protein 2, Cyclic peptide 4.2_3 | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | 登録日 | 2019-10-08 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U1F
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![BU of 6u1f by Molmil](/molmil-images/mine/6u1f) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | 著者 | Pederick, J.L, Bruning, J.B. | 登録日 | 2019-08-15 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1R
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![BU of 6u1r by Molmil](/molmil-images/mine/6u1r) | SxtG an amidinotransferase from the Microseira wollei in Saxitoxin biosynthetic pathway | 分子名称: | FORMIC ACID, SxtG | 著者 | Mallik, L, Lukowski, A.L, Narayan, A.R.H, Koutmos, M. | 登録日 | 2019-08-16 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | 主引用文献 | Substrate Promiscuity of a Paralytic Shellfish Toxin Amidinotransferase. Acs Chem.Biol., 15, 2020
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7CDG
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![BU of 7cdg by Molmil](/molmil-images/mine/7cdg) | Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | 登録日 | 2020-06-19 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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6TUM
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7CRF
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![BU of 7crf by Molmil](/molmil-images/mine/7crf) | Crystal structure of human TLR8 in complex with CU-CPD107 | 分子名称: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | 著者 | Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. | 登録日 | 2020-08-13 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists. Nat Commun, 12, 2021
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6TVE
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6TXX
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![BU of 6txx by Molmil](/molmil-images/mine/6txx) | CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2 | 分子名称: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Fiegen, D, Draxler, S.W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
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7CDD
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![BU of 7cdd by Molmil](/molmil-images/mine/7cdd) | Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | 登録日 | 2020-06-19 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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6TY6
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![BU of 6ty6 by Molmil](/molmil-images/mine/6ty6) | Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) | 分子名称: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | 登録日 | 2020-01-15 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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6U43
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7CDE
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![BU of 7cde by Molmil](/molmil-images/mine/7cde) | Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | 登録日 | 2020-06-19 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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6U4Q
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![BU of 6u4q by Molmil](/molmil-images/mine/6u4q) | Carbonic anhydrase 2 in complex with SB4197 | 分子名称: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | 登録日 | 2019-08-26 | 公開日 | 2020-01-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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7CFU
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6U9A
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![BU of 6u9a by Molmil](/molmil-images/mine/6u9a) | Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5 | 分子名称: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha | 著者 | Cuesta, A, Wan, X, Taunton, J. | 登録日 | 2019-09-07 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
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6UFP
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![BU of 6ufp by Molmil](/molmil-images/mine/6ufp) | Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE | 分子名称: | (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ... | 著者 | Campbell, A.C, Tanner, J.J. | 登録日 | 2019-09-24 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate. Acs Chem.Biol., 15, 2020
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6UHP
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![BU of 6uhp by Molmil](/molmil-images/mine/6uhp) | Crystal Structure of C148 mGFP-ncDNA-1 | 分子名称: | C148 mGFP-ncDNA-1 | 著者 | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | 登録日 | 2019-09-27 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | DNA-Directed Protein Packing within Single Crystals. Chem, 6, 2020
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6UCN
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![BU of 6ucn by Molmil](/molmil-images/mine/6ucn) | Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K | 分子名称: | CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ... | 著者 | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | 登録日 | 2019-09-16 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles. Proc.Natl.Acad.Sci.USA, 117, 2020
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