8OR9
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6XIX
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8EQH
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5LKR
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![BU of 5lkr by Molmil](/molmil-images/mine/5lkr) | Human Butyrylcholinesterase complexed with N-Propargyliperidines | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | 著者 | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | 登録日 | 2016-07-23 | 公開日 | 2016-12-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg. Med. Chem., 25, 2017
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8EZH
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![BU of 8ezh by Molmil](/molmil-images/mine/8ezh) | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct | 分子名称: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Gatreddi, S, Hausinger, R.P, Hu, J. | 登録日 | 2022-10-31 | 公開日 | 2023-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor. Acs Catalysis, 13, 2023
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6XJE
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![BU of 6xje by Molmil](/molmil-images/mine/6xje) | Triuret Hydrolase (TrtA) from Herbaspirillum sp. BH-1 C162S bound with triuret | 分子名称: | 1,2-ETHANEDIOL, Cysteine hydrolase, tricarbonodiimidic diamide | 著者 | Tassoulas, L.T, Elias, M.H, Wackett, L.P. | 登録日 | 2020-06-23 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery of an ultraspecific triuret hydrolase (TrtA) establishes the triuret biodegradation pathway. J.Biol.Chem., 296, 2020
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5WFV
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![BU of 5wfv by Molmil](/molmil-images/mine/5wfv) | Kelch domain of human Keap1 bound to Nrf2 ETGE peptide | 分子名称: | Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION | 著者 | Carolan, J.P, Lynch, A.J, Allen, K.N. | 登録日 | 2017-07-12 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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6X9L
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5LVX
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![BU of 5lvx by Molmil](/molmil-images/mine/5lvx) | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | 分子名称: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | 登録日 | 2016-09-14 | 公開日 | 2017-10-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site. J. Am. Chem. Soc., 140, 2018
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5AIO
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5WHO
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5M12
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![BU of 5m12 by Molmil](/molmil-images/mine/5m12) | Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with intact cyclopropyl-carbasugar. | 分子名称: | (1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol, Alpha-galactosidase, MAGNESIUM ION, ... | 著者 | Pengelly, R, Gloster, T. | 登録日 | 2016-10-07 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars. Angew.Chem.Int.Ed.Engl., 55, 2016
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1EL2
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8ORA
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![BU of 8ora by Molmil](/molmil-images/mine/8ora) | Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester | 分子名称: | Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ... | 著者 | Bisello, G, Perduca, M, Bertoldi, M. | 登録日 | 2023-04-13 | 公開日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency. Protein Sci., 32, 2023
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6XE0
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![BU of 6xe0 by Molmil](/molmil-images/mine/6xe0) | Cryo-EM structure of NusG-CTD bound to 70S ribosome (30S: NusG-CTD fragment) | 分子名称: | 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | 著者 | Washburn, R, Zuber, P, Sun, M, Hashem, Y, Shen, B, Li, W, Harvey, S, Acosta-Reyes, F.J, Knauer, S.H, Frank, J, Gottesman, M.E. | 登録日 | 2020-06-11 | 公開日 | 2020-07-29 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (6.8 Å) | 主引用文献 | Escherichia coli NusG Links the Lead Ribosome with the Transcription Elongation Complex. Iscience, 23, 2020
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1EOP
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![BU of 1eop by Molmil](/molmil-images/mine/1eop) | ECORV BOUND TO COGNATE DNA | 分子名称: | DNA (5'-D(*GP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*C)-3'), TYPE II RESTRICTION ENZYME ECORV | 著者 | Horton, N.C, Perona, J.J. | 登録日 | 2000-03-23 | 公開日 | 2000-04-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystallographic snapshots along a protein-induced DNA-bending pathway. Proc.Natl.Acad.Sci.USA, 97, 2000
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6X9O
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![BU of 6x9o by Molmil](/molmil-images/mine/6x9o) | High resolution cryoEM structure of huntingtin in complex with HAP40 | 分子名称: | 40-kDa huntingtin-associated protein, Huntingtin | 著者 | Harding, R.J, Deme, J.C, Lea, S.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-03 | 公開日 | 2020-06-17 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1. Commun Biol, 4, 2021
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8F5W
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![BU of 8f5w by Molmil](/molmil-images/mine/8f5w) | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | 登録日 | 2022-11-15 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023
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8EYO
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![BU of 8eyo by Molmil](/molmil-images/mine/8eyo) | Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 with NADP bound | 分子名称: | CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, ... | 著者 | Shaffer, P.L, Grell, T.A.J, Mason, M, Thompson, A.A, Riley, D, Wagner, M.V, Steele, R, Ortiz-Meoz, R, Wadia, J, Sharma, S, Yu, X. | 登録日 | 2022-10-28 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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4XOU
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![BU of 4xou by Molmil](/molmil-images/mine/4xou) | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | 著者 | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | 登録日 | 2015-01-16 | 公開日 | 2015-06-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser. Iucrj, 2, 2015
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6XDT
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![BU of 6xdt by Molmil](/molmil-images/mine/6xdt) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 5-((2-formyl-4-methoxyphenoxy)methyl)picolinate | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-11 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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5LDW
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![BU of 5ldw by Molmil](/molmil-images/mine/5ldw) | Structure of mammalian respiratory Complex I, class1 | 分子名称: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Vinothkumar, K.R, Zhu, J, Hirst, J. | 登録日 | 2016-06-28 | 公開日 | 2016-09-07 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | 主引用文献 | Structure of mammalian respiratory complex I. Nature, 536, 2016
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5LXW
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8F6N
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![BU of 8f6n by Molmil](/molmil-images/mine/8f6n) | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically | 分子名称: | Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | 登録日 | 2022-11-16 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023
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5WUQ
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![BU of 5wuq by Molmil](/molmil-images/mine/5wuq) | Crystal structure of SigW in complex with its anti-sigma RsiW, a zinc binding form | 分子名称: | Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW, ZINC ION | 著者 | Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y. | 登録日 | 2016-12-20 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW PLoS ONE, 12, 2017
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