5FM0
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![BU of 5fm0 by Molmil](/molmil-images/mine/5fm0) | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative) | 分子名称: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ... | 著者 | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | 登録日 | 2015-10-29 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters. Nat. Chem. Biol., 13, 2017
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5FVU
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![BU of 5fvu by Molmil](/molmil-images/mine/5fvu) | Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2016-02-10 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.224 Å) | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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7L6D
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![BU of 7l6d by Molmil](/molmil-images/mine/7l6d) | Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, Bromosporine, ... | 著者 | Karim, M.R, Bikowitz, M.J, Chan, A, Schonbrunn, E. | 登録日 | 2020-12-23 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7QY1
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![BU of 7qy1 by Molmil](/molmil-images/mine/7qy1) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ... | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | 登録日 | 2022-01-27 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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5FP0
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![BU of 5fp0 by Molmil](/molmil-images/mine/5fp0) | ligand complex structure of soluble epoxide hydrolase | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide | 著者 | Xue, Y, Olsson, T, Johansson, C.A, Oster, L, Beisel, H.G, Rohman, M, Karis, D, Backstrom, S. | 登録日 | 2015-11-26 | 公開日 | 2016-03-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation-Structure-Based Hit Evaluation and Chemistry Exploration. Chemmedchem, 11, 2016
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7L4Z
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![BU of 7l4z by Molmil](/molmil-images/mine/7l4z) | Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1 | 著者 | Christie, M, Mackay, J.P, Passioura, T, Payne, R.J. | 登録日 | 2020-12-21 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.96 Å) | 主引用文献 | Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display. Acs Cent.Sci., 7, 2021
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5CAQ
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![BU of 5caq by Molmil](/molmil-images/mine/5caq) | EGFR kinase domain mutant "TMLR" with compound 33 | 分子名称: | Epidermal growth factor receptor, N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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7QQN
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![BU of 7qqn by Molmil](/molmil-images/mine/7qqn) | The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3 | 分子名称: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | 著者 | Cousido-Siah, A, Trave, G, Gogl, G. | 登録日 | 2022-01-10 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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5FSH
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5CB5
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![BU of 5cb5 by Molmil](/molmil-images/mine/5cb5) | Structural Insights into the Mechanism of Escherichia coli Ymdb | 分子名称: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ... | 著者 | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | 登録日 | 2015-06-30 | 公開日 | 2015-11-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase J.Struct.Biol., 192, 2015
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7QY0
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![BU of 7qy0 by Molmil](/molmil-images/mine/7qy0) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | 登録日 | 2022-01-27 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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2X06
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![BU of 2x06 by Molmil](/molmil-images/mine/2x06) | SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHII | 分子名称: | L-SULFOLACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D. | 登録日 | 2009-12-07 | 公開日 | 2009-12-15 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Methanoarchaeal Sulfolactate Dehydrogenase: Prototype of a New Family of Nadh-Dependent Enzymes. Embo J., 23, 2004
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4N0F
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7QQM
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![BU of 7qqm by Molmil](/molmil-images/mine/7qqm) | The PDZ domain of LRRC7 fused with ANXA2 | 分子名称: | CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2 | 著者 | Cousido-Siah, A, Trave, G, Gogl, G. | 登録日 | 2022-01-10 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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5CJ0
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![BU of 5cj0 by Molmil](/molmil-images/mine/5cj0) | Crystal Structure of Amino Acids 1631-1692 of MYH7 | 分子名称: | Xrcc4-MYH7-(1631-1692) chimera protein | 著者 | Korkmaz, N.E, Taylor, K.C, Andreas, M.P, Ajay, G, Heinze, N.T, Cui, Q, Rayment, I. | 登録日 | 2015-07-13 | 公開日 | 2015-12-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A composite approach towards a complete model of the myosin rod. Proteins, 84, 2016
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3AXM
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![BU of 3axm by Molmil](/molmil-images/mine/3axm) | Structure of rice Rubisco in complex with 6PG | 分子名称: | 6-PHOSPHOGLUCONIC ACID, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | 著者 | Matsumura, H, Mizohata, E, Ishida, H, Kogami, A, Ueno, T, Makino, A, Inoue, T, Yokota, A, Mae, T, Kai, Y. | 登録日 | 2011-04-11 | 公開日 | 2012-04-11 | 最終更新日 | 2013-06-05 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of rice Rubisco and implications for activation induced by positive effectors NADPH and 6-phosphogluconate J.Mol.Biol., 422, 2012
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4HXX
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![BU of 4hxx by Molmil](/molmil-images/mine/4hxx) | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | 分子名称: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | 著者 | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. Bioorg.Med.Chem., 21, 2013
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1P7R
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![BU of 1p7r by Molmil](/molmil-images/mine/1p7r) | CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | 登録日 | 2003-05-05 | 公開日 | 2003-10-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger). Biochemistry, 42, 2003
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3CQS
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![BU of 3cqs by Molmil](/molmil-images/mine/3cqs) | A 3'-OH, 2',5'-phosphodiester substitution in the hairpin ribozyme active site reveals similarities with protein ribonucleases | 分子名称: | 13-mer substrate strand with 3'-OH, 2',5'-phosphodiester covalently linking 5th and 6th nucleotides, 19-mer ribozyme strand, ... | 著者 | Torelli, A.T, Spitale, R.C, Krucinska, J, Wedekind, J.E. | 登録日 | 2008-04-03 | 公開日 | 2008-05-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Shared traits on the reaction coordinates of ribonuclease and an RNA enzyme Biochem.Biophys.Res.Commun., 371, 2008
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5CJY
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5CCV
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2WWU
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![BU of 2wwu by Molmil](/molmil-images/mine/2wwu) | Crystal structure of the catalytic domain of PHD finger protein 8 | 分子名称: | ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ... | 著者 | Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U. | 登録日 | 2009-10-29 | 公開日 | 2009-11-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase. FEBS Lett., 584, 2010
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3AWT
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8UHB
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![BU of 8uhb by Molmil](/molmil-images/mine/8uhb) | Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex | 分子名称: | (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zilberg, G, Warren, A.L, Parpounas, A.K, Wacker, D. | 登録日 | 2023-10-08 | 公開日 | 2024-01-10 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Molecular basis of human trace amine-associated receptor 1 activation. Nat Commun, 15, 2024
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8VC2
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![BU of 8vc2 by Molmil](/molmil-images/mine/8vc2) | CryoEM structure of insect gustatory receptor BmGr9 in the presence of fructose | 分子名称: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, Gustatory receptor | 著者 | Frank, H.M, Walsh Jr, R.M, Garrity, P.A, Gaudet, R. | 登録日 | 2023-12-13 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | 主引用文献 | Structure of an insect gustatory receptor. Biorxiv, 2023
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