6CWW
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![BU of 6cww by Molmil](/molmil-images/mine/6cww) | Cs H-NOX mutant with unnatural amino acid 4-cyano-L-phenylalanine at site 5 | 分子名称: | 2,2',2''-NITRILOTRIETHANOL, Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kearney, C, Olenginski, L.T, Hirn, T.D, Fowler, G.D, Tariq, D, Brewer, S.H, Phillips-Piro, C.M. | 登録日 | 2018-03-31 | 公開日 | 2018-05-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Exploring local solvation environments of a heme protein using the spectroscopic reporter 4-cyano-l-phenylalanine. RSC Adv, 8, 2018
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8VJ5
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![BU of 8vj5 by Molmil](/molmil-images/mine/8vj5) | Peroxide-Soaked MnSOD | 分子名称: | HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ... | 著者 | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | 登録日 | 2024-01-05 | 公開日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition. Biorxiv, 2024
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5J8D
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![BU of 5j8d by Molmil](/molmil-images/mine/5j8d) | Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide | 分子名称: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID ADENINE DINUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | 著者 | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | 登録日 | 2016-04-07 | 公開日 | 2017-05-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase. Structure, 25, 2017
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6H0G
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![BU of 6h0g by Molmil](/molmil-images/mine/6h0g) | Structure of the DDB1-CRBN-pomalidomide complex bound to ZNF692(ZF4) | 分子名称: | DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DDB1 (DNA damage binding protein 1),DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | 著者 | Bunker, R.D, Petzold, G, Thoma, N.H. | 登録日 | 2018-07-09 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (4.25 Å) | 主引用文献 | Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN. Science, 362, 2018
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8VM9
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![BU of 8vm9 by Molmil](/molmil-images/mine/8vm9) | |
1CYN
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![BU of 1cyn by Molmil](/molmil-images/mine/1cyn) | |
8VMA
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![BU of 8vma by Molmil](/molmil-images/mine/8vma) | |
7FBS
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![BU of 7fbs by Molmil](/molmil-images/mine/7fbs) | structure of a channel | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jiang, D.J, Catterall, W.A. | 登録日 | 2021-07-12 | 公開日 | 2021-09-22 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Open-state structure and pore gating mechanism of the cardiac sodium channel. Cell, 184, 2021
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6U4Z
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7W9K
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![BU of 7w9k by Molmil](/molmil-images/mine/7w9k) | Cryo-EM structure of human Nav1.7-beta1-beta2 complex at 2.2 angstrom resolution | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | 登録日 | 2021-12-09 | 公開日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
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8W2D
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8DUK
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![BU of 8duk by Molmil](/molmil-images/mine/8duk) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(methylamino)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | 分子名称: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | 著者 | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | 登録日 | 2022-07-27 | 公開日 | 2023-07-05 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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1CWB
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6OKS
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5YZD
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![BU of 5yzd by Molmil](/molmil-images/mine/5yzd) | Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor peptide (FIP) | 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, glycoprotein F1,measles virus fusion protein, ... | 著者 | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | 登録日 | 2017-12-14 | 公開日 | 2018-02-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.636 Å) | 主引用文献 | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8VTV
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![BU of 8vtv by Molmil](/molmil-images/mine/8vtv) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-91, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.55A resolution | 分子名称: | 1-cyclopropyl-7-{7-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]hept-1-yn-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | 著者 | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | 登録日 | 2024-01-27 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms. Nat.Chem.Biol., 2024
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7MFU
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![BU of 7mfu by Molmil](/molmil-images/mine/7mfu) | Crystal structure of synthetic nanobody (Sb14+Sb68) complexes with SARS-CoV-2 receptor binding domain | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Spike protein S1, ... | 著者 | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | 登録日 | 2021-04-11 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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6UD2
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![BU of 6ud2 by Molmil](/molmil-images/mine/6ud2) | co-crystal structure of compound 1 bound to human Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-18 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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1CIV
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![BU of 1civ by Molmil](/molmil-images/mine/1civ) | CHLOROPLAST NADP-DEPENDENT MALATE DEHYDROGENASE FROM FLAVERIA BIDENTIS | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-MALATE DEHYDROGENASE | 著者 | Carr, P.D, Ashton, A.R, Verger, D, Ollis, D.L. | 登録日 | 1999-04-01 | 公開日 | 2000-04-05 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Chloroplast NADP-malate dehydrogenase: structural basis of light-dependent regulation of activity by thiol oxidation and reduction. Structure Fold.Des., 7, 1999
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7CAY
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![BU of 7cay by Molmil](/molmil-images/mine/7cay) | Crystal Structure of Lon N-terminal domain protein from Xanthomonas campestris | 分子名称: | ATP-dependent protease | 著者 | Singh, R, Sharma, B, Deshmukh, S, Kumar, A, Makde, R.D. | 登録日 | 2020-06-10 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of XCC3289 from Xanthomonas campestris: homology with the N-terminal substrate-binding domain of Lon peptidase. Acta Crystallogr.,Sect.F, 76, 2020
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6WYA
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![BU of 6wya by Molmil](/molmil-images/mine/6wya) | RTX (Reverse Transcription Xenopolymerase) in complex with a DNA duplex and dAMPNPP | 分子名称: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | 登録日 | 2020-05-12 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
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8AGM
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![BU of 8agm by Molmil](/molmil-images/mine/8agm) | Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | 分子名称: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | 著者 | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | 登録日 | 2022-07-20 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.966 Å) | 主引用文献 | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8VTU
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![BU of 8vtu by Molmil](/molmil-images/mine/8vtu) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-66, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution | 分子名称: | 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | 著者 | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | 登録日 | 2024-01-27 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms. Nat.Chem.Biol., 2024
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6WZ8
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![BU of 6wz8 by Molmil](/molmil-images/mine/6wz8) | Complex of Pseudomonas 7A Glutaminase-Asparaginase with Citrate Anion at pH 5.5. Covalent Acyl-Enzyme Intermediate | 分子名称: | CITRIC ACID, Glutaminase-asparaginase | 著者 | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | 登録日 | 2020-05-13 | 公開日 | 2020-10-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria. Sci Rep, 10, 2020
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5UOP
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![BU of 5uop by Molmil](/molmil-images/mine/5uop) | CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 18) | 分子名称: | (1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, GLYCEROL, INTEGRASE, ... | 著者 | Klein, D.J. | 登録日 | 2017-02-01 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV. Bioorg. Med. Chem. Lett., 27, 2017
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