6VF8
 
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Pre-Catalytic Ternary Complex, 20 mM Ca2+ (120 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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5MI6
 | | BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G | | 分子名称: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Darby, J.F, Davies, G.J, Hubbard, R.E. | | 登録日 | 2016-11-27 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
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7LQ1
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28 | | 分子名称: | CHLORIDE ION, N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Lesburg, C.A, Augustin, M. | | 登録日 | 2021-02-12 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Discovery of a new series of PI3K-delta inhibitors from Virtual Screening.
Bioorg.Med.Chem.Lett., 42, 2021
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6VEZ
 | | DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.875 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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8HGW
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6VF6
 | | DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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6VF5
 | | DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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6VF9
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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6VF7
 | | DNA Polymerase Mu, 8-oxodGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.871 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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8VCK
 | | Galactose-binding lectin from Mytilus californianus, Isoform 1 (rMcL-1) | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Hernandez-Santoyo, A, Loera-Rubalcava, J. | | 登録日 | 2023-12-14 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-05-21 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
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4QN9
 | | Structure of human NAPE-PLD | | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ... | | 著者 | Garau, G. | | 登録日 | 2014-06-17 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.652 Å) | | 主引用文献 | Structure of human N-acylphosphatidylethanolamine-hydrolyzing phospholipase D: regulation of fatty acid ethanolamide biosynthesis by bile acids.
Structure, 23, 2015
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8ER6
 | | FKBP12-FRB in Complex with Compound 11 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8Q2F
 | | Cytochrome P450 BM3 aMOx-A heme domain | | 分子名称: | ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | 著者 | Klaus, C, Kowal, J.L, Hammer, S.C, Niemann, H.H. | | 登録日 | 2023-08-02 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (3.43 Å) | | 主引用文献 | Directed Evolution Enables Dynamic Control of Transient Intermediates for Anti-Markovnikov Wacker-Tsuji-Type Oxidation of Unactivated Alkenes
Chemrxiv, 2024
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6VFA
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Ground State Ternary Complex, 50 mM Mn2+ (15 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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7QOR
 | | Structure of beta-lactamase TEM-171 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | | 登録日 | 2021-12-28 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
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6TFU
 | | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2019-11-14 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
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6VFC
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural basis for proficient oxidized ribonucleotide insertion in double strand break repair.
Nat Commun, 12, 2021
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7A66
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8SIX
 | | Structure of Compound 13 bound to the CHK1 10-point mutant | | 分子名称: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2023-04-17 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
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7QI8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | | 分子名称: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | 登録日 | 2021-12-14 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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5XHW
 | | Crystal structure of HddC from Yersinia pseudotuberculosis | | 分子名称: | Putative 6-deoxy-D-mannoheptose pathway protein, SULFATE ION | | 著者 | Park, J, Kim, H, Kim, S, Shin, D.H. | | 登録日 | 2017-04-24 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of d-glycero-alpha-d-manno-heptose-1-phosphate guanylyltransferase from Yersinia pseudotuberculosis.
Biochim. Biophys. Acta, 1866, 2018
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9JA0
 | | The capsid protein of HIV 1 | | 分子名称: | Capsid protein p24 | | 著者 | Yi, G, Ma, J, Zhang, P. | | 登録日 | 2024-08-23 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Open architecture of archaea MCM and dsDNA complexes resolved using monodispersed streptavidin affinity CryoEM.
Nat Commun, 15, 2024
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8V51
 | | Crystal structure of a HLA-B*35:01-NP10 with D1 TCR | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, D1 TCR alpha chain, ... | | 著者 | Littler, D.R, Rossjohn, J, Gras, S. | | 登録日 | 2023-11-30 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.10000038 Å) | | 主引用文献 | Molecular determinants of cross-strain influenza A virus recognition by alpha beta T cell receptors.
Sci Immunol, 10, 2025
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5GJ3
 | | Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in two-heme bound form (holo-2) | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Periplasmic binding protein, ZINC ION | | 著者 | Rahman, M.M, Naoe, Y, Nakamura, N, Shiro, Y, Sugimoto, H. | | 登録日 | 2016-06-26 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems.
Proteins, 85, 2017
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5KAL
 | | Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU | | 分子名称: | MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ... | | 著者 | Stagno, J.R, Luecke, H, Afasizhev, R. | | 登録日 | 2016-06-01 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
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