5K0G
 
 | | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5ZEB
 | | M. Smegmatis P/P state 70S ribosome structure | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S. | | 登録日 | 2018-02-27 | | 公開日 | 2018-09-26 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
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5MB7
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7ZM6
 | | Nariva virus receptor binding protein | | 分子名称: | Attachment protein | | 著者 | Stelfox, A.J, Rissanen, I, Rambo, R, Lee, B, Bowden, T.A. | | 登録日 | 2022-04-19 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystal structure and solution state of the C-terminal head region of the narmovirus receptor binding protein.
Mbio, 14, 2023
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6Z3A
 | | Mec1-Ddc2 (wild-type) in complex with AMP-PNP | | 分子名称: | DNA damage checkpoint protein LCD1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase MEC1, ... | | 著者 | Yates, L.A, Zhang, X. | | 登録日 | 2020-05-19 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
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4YXI
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | | 分子名称: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-23 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
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6ZJB
 | | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Gp5A | | 分子名称: | GTP:AMP phosphotransferase AK3, mitochondrial, MAGNESIUM ION, ... | | 著者 | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | 登録日 | 2020-06-28 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.822 Å) | | 主引用文献 | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
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5MCC
 | | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 1.11 MGy | | 分子名称: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | | 著者 | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | | 登録日 | 2016-11-09 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
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5K1W
 | | Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with trinitrophenol | | 分子名称: | FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, Octadecane, ... | | 著者 | Elegheert, J, Brige, A, Savvides, S.N. | | 登録日 | 2016-05-18 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
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5MHW
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The fifth structure of the series with total exposition time 123 min. | | 分子名称: | CITRIC ACID, COPPER (II) ION, Laccase 2, ... | | 著者 | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | 登録日 | 2016-11-26 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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7QZX
 | | Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | | 分子名称: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-02-01 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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5M7T
 | | Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor | | 分子名称: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, Protein O-GlcNAcase | | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | 登録日 | 2016-10-28 | | 公開日 | 2017-03-29 | | 最終更新日 | 2017-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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7R1X
 | | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | 分子名称: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-02-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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5K59
 | | Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody | | 分子名称: | CHLORIDE ION, Fab heavy chain, Fab light chain, ... | | 著者 | Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E. | | 登録日 | 2016-05-23 | | 公開日 | 2016-08-10 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
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6WK3
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8VU8
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6X44
 | | High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum | | 分子名称: | DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5 | | 著者 | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | | 登録日 | 2020-05-22 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.19733953 Å) | | 主引用文献 | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
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8OSK
 | | Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL+5.8 (composite map) | | 分子名称: | Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ... | | 著者 | Stoos, L, Michael, A.K, Kempf, G, Cavadini, S, Thoma, N.H. | | 登録日 | 2023-04-19 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
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8UTW
 | | KIF1A[1-393] P305L mutant APO in complex with a microtubule | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | 著者 | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | 登録日 | 2023-10-31 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
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6FNG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | 登録日 | 2018-02-04 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.038 Å) | | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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8VF6
 | | Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211 | | 分子名称: | Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone | | 著者 | Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M. | | 登録日 | 2023-12-21 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
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6T1Z
 | | LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342 | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ... | | 著者 | Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C. | | 登録日 | 2019-10-07 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity.
Nat.Struct.Mol.Biol., 27, 2020
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5NEJ
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6FP9
 | | Crystal structure of anti-mTFP1 DARPin 1238_E11 | | 分子名称: | 1,2-ETHANEDIOL, DARPin 1238_E11, SULFATE ION | | 著者 | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | 登録日 | 2018-02-09 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6ZD3
 | | Crystal structure of YTHDC1 M438A mutant | | 分子名称: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1 | | 著者 | Bedi, R.K, Li, Y, Caflisch, A. | | 登録日 | 2020-06-13 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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