6PJH
 
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-28 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-06-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6Y38
 | | Crystal structure of Whirlin PDZ3 in complex with Myosin 15a C-terminal PDZ binding motif peptide | | 分子名称: | Chains: C,D, Whirlin | | 著者 | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | 登録日 | 2020-02-17 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | | 主引用文献 | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6PM9
 | | Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | | 分子名称: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | | 著者 | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | | 登録日 | 2019-07-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.
J.Med.Chem., 62, 2019
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6CX8
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, MANGANESE (II) ION, ... | | 著者 | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-04-02 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions.
To Be Published
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6PJF
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-44 | | 分子名称: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-06-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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7SVW
 | | Strand-transfer complex of TnsB from ShCAST | | 分子名称: | MAGNESIUM ION, STC_LE_For, STC_LE_Rev1, ... | | 著者 | Park, J, Tsai, A.W.T, Kellogg, E.H. | | 登録日 | 2021-11-19 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | | 主引用文献 | Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6PPQ
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6MLT
 | | Crystal structure of the V. cholerae biofilm matrix protein Bap1 | | 分子名称: | CALCIUM ION, CITRATE ANION, GLYCEROL, ... | | 著者 | Kaus, K, Biester, A, Chupp, E, Lu, K, Vidsudharomn, C, Olson, R. | | 登録日 | 2018-09-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The 1.9 angstrom crystal structure of the extracellular matrix protein Bap1 fromVibrio choleraeprovides insights into bacterial biofilm adhesion.
J.Biol.Chem., 294, 2019
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6MNG
 | | 4738 TCR bound to IAb Padi4 | | 分子名称: | 4738 TCR alpha chain, 4738 TCR beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | | 登録日 | 2018-10-01 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.662 Å) | | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development.
Nat.Immunol., 20, 2019
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5L9A
 | | L-threonine dehydrogenase from trypanosoma brucei. | | 分子名称: | ACETATE ION, L-threonine 3-dehydrogenase | | 著者 | Erskine, P.T, Cooper, J.B, Adjogatse, E, Kelly, J, Wood, S.P. | | 登録日 | 2016-06-09 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5LA6
 | | Tubulin-pironetin complex | | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Prota, A.E, Setter, J, Waight, A.B, Bargsten, K, Murga, J, Diaz, J.F, Steinmetz, M.O. | | 登録日 | 2016-06-13 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pironetin Binds Covalently to alpha Cys316 and Perturbs a Major Loop and Helix of alpha-Tubulin to Inhibit Microtubule Formation.
J.Mol.Biol., 428, 2016
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6D3H
 | | FT_T dioxygenase with bound dichlorprop | | 分子名称: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | 著者 | Rydel, T.J, Halls, C.E. | | 登録日 | 2018-04-16 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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1EXJ
 | | CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPP | | 分子名称: | DNA (5'-D(*AP*CP*CP*CP*TP*CP*CP*CP*CP*TP*TP*AP*GP*GP*GP*GP*AP*GP*GP*GP*T)-3'), MULTIDRUG-EFFLUX TRANSPORTER REGULATOR, SODIUM ION, ... | | 著者 | Zheleznova-Heldwein, E.E, Brennan, R.G. | | 登録日 | 2000-05-02 | | 公開日 | 2001-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of the transcription activator BmrR bound to DNA and a drug.
Nature, 409, 2001
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6YHM
 | | Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis | | 分子名称: | Cytotoxic necrotizing factor, MAGNESIUM ION | | 著者 | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | | 登録日 | 2020-03-30 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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6D0O
 | | rdpA dioxygenase holoenzyme | | 分子名称: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION | | 著者 | Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A. | | 登録日 | 2018-04-10 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6MUU
 | | Cryo-EM structure of Csm-crRNA binary complex in type III-A CRISPR-Cas system | | 分子名称: | RNA (25-MER), Uncharacterized protein Csm1, Uncharacterized protein Csm2, ... | | 著者 | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | | 登録日 | 2018-10-23 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity.
Mol. Cell, 73, 2019
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6MJM
 | | Substrate Free Cytochrome P450 3A5 (CYP3A5) | | 分子名称: | Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2018-09-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4.
J.Biol.Chem., 294, 2019
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6PPV
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6SP4
 | | KEAP1 IN COMPLEX WITH COMPOUND 23 | | 分子名称: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | | 著者 | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | 登録日 | 2019-08-30 | | 公開日 | 2020-06-03 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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1EV9
 | | RAT GLUTATHIONE S-TRANSFERASE A1-1 MUTANT W21F WITH GSO3 BOUND | | 分子名称: | GLUTATHIONE S-TRANSFERASE A1-1, GLUTATHIONE SULFONIC ACID, SULFATE ION | | 著者 | Adman, E.T, Le Trong, I, Stenkamp, R.E, Nieslanik, B.S, Dietze, E.C, Tai, G, Ibarra, C, Atkins, W.M. | | 登録日 | 2000-04-19 | | 公開日 | 2001-02-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Localization of the C-terminus of rat glutathione S-transferase A1-1: crystal structure of mutants W21F and W21F/F220Y.
Proteins, 42, 2001
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6MKI
 | | Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the ceftaroline-bound form | | 分子名称: | Ceftaroline, bound form, GLYCEROL, ... | | 著者 | D'Andrea, E.D, Moon, T.M, Peti, W, Page, R. | | 登録日 | 2018-09-25 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.984 Å) | | 主引用文献 | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
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6MRQ
 | | Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | 著者 | Fernandes, J.C, Mourao, C.B.F, Schwartz, E.F, Barbosa, J.A.R.G. | | 登録日 | 2018-10-15 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.288 Å) | | 主引用文献 | Head-to-Tail Cyclization after Interaction with Trypsin: A Scorpion Venom Peptide that Resembles Plant Cyclotides.
J.Med.Chem., 63, 2020
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6YBL
 | | Structure of MBP-Mcl-1 in complex with compound 9m | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Surgenor, A.E, Murray, J.B. | | 登録日 | 2020-03-17 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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6MVN
 | | LasR LBD L130F:3OC10HSL complex | | 分子名称: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, Transcriptional regulator LasR | | 著者 | Bassler, B.L, Paczkowski, J.E. | | 登録日 | 2018-10-26 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural determinants driving homoserine lactone ligand selection in thePseudomonas aeruginosaLasR quorum-sensing receptor.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2W9X
 | | The active site of a carbohydrate esterase displays divergent catalytic and non-catalytic binding functions | | 分子名称: | GLYCEROL, PUTATIVE ACETYL XYLAN ESTERASE | | 著者 | Montanier, C, Money, V.A, Pires, V, Flint, J.E, Benedita, P.A, Goyal, A, Prates, J.A, Izumi, A, Stalbrand, H, Morland, C, Cartmell, A, Kolenova, K, Topakas, E, Dobson, E, Bolam, D.N, Davies, G.J, Fontes, C.M, Gilbert, H.J. | | 登録日 | 2009-01-29 | | 公開日 | 2009-03-24 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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