5TF5
 
 | | CRYSTAL STRUCTURE OF HUMAN KAT-2 IN COMPLEX WITH A REVERSIBLE INHIBITOR | | 分子名称: | (2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | 著者 | Nematollahi, A, Sun, G, Church, W.B. | | 登録日 | 2016-09-24 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | | 主引用文献 | Crystal structure and mechanistic analysis of a novel human kynurenine aminotransferase-2 reversible inhibitor
Med.Chem.Res., 2017
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1W2N
 | | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin | | 分子名称: | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | | 著者 | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | | 登録日 | 2004-07-07 | | 公開日 | 2004-09-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase
J.Mol.Biol., 343, 2004
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6E67
 | | Structure of beta2 adrenergic receptor fused to a Gs peptide | | 分子名称: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor,Endolysin,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Beta-2 adrenergic receptor chimera | | 著者 | Liu, X, Xu, X, Hilger, D, Tiemann, J, Liu, H, Du, Y, Hirata, K, Sun, X, Guixa-Gonzalez, R, Mathiesen, J, Hildebrand, P, Kobilka, B. | | 登録日 | 2018-07-24 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
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5NZG
 | | Crystal structure of UDP-glucose pyrophosphorylase S374W mutant from Leishmania major in complex with UDP-glucose | | 分子名称: | 1,2-ETHANEDIOL, UDP-glucose pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | 著者 | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | 登録日 | 2017-05-14 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
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8OH6
 | | Crystal structure of the Candida albicans 80S ribosome in complex with Paromomycin (500umol) | | 分子名称: | 18S, 25S (gene name XR_002086444.1), 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | | 著者 | Kolosova, O, Zgadzay, Y, Yusupov, M. | | 登録日 | 2023-03-20 | | 公開日 | 2024-10-02 | | 最終更新日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Mechanism of read-through enhancement by aminoglycosides and mefloquine
Proc.Natl.Acad.Sci.USA, 2025
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5O58
 | | Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with substrate 5'-pApG | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | 著者 | Witte, G, Drexler, D, Mueller, M. | | 登録日 | 2017-06-01 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
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7K0H
 | | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | 分子名称: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5FI6
 | | Crystal structure of human GAC in complex with inhibitor UPGL_00011: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide | | 分子名称: | 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Huang, Q, Cerione, R. | | 登録日 | 2015-12-22 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Design and evaluation of novel glutaminase inhibitors.
Bioorg.Med.Chem., 24, 2016
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7K0E
 | | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8P16
 | | E167K RF2 on E. coli 70S release complex with UGG (Structure I) | | 分子名称: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | 著者 | Pundir, S, Larsson, D.S.D, Selmer, M, Sanyal, S. | | 登録日 | 2023-05-11 | | 公開日 | 2024-05-22 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | The compensatory mechanism of a naturally evolved
E167K RF2 counteracting the loss of
RF1 in bacteria
To Be Published
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5EZ4
 | | 2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-11-26 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | 2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
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7JQA
 | | EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ... | | 著者 | Plapp, B.V, Ramaswamy, S. | | 登録日 | 2020-08-10 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase.
Arch.Biochem.Biophys., 701, 2021
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1H5N
 | | DMSO REDUCTASE MODIFIED BY THE PRESENCE OF DMS AND AIR | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM(VI) ION, ... | | 著者 | Bailey, S, Adams, B, Smith, A.T, Richards, R.L, Lowe, D.J, Bray, R.C. | | 登録日 | 2001-05-22 | | 公開日 | 2002-05-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Reactions of Dimethyl Sulphoxide Reductase in the Presence of Dimethylsulphide and the Structure of the Dimethylsulphide-Modified Enzyme
Biochemistry, 40, 2001
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4IRR
 | | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase | | 著者 | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | 登録日 | 2013-01-15 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
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8P17
 | | E167K RF2 on E. coli 70S release complex with UGG (Structure II) | | 分子名称: | 1,4-DIAMINOBUTANE, 16S RNA, 23S rRNA, ... | | 著者 | Pundir, S, Larsson, D.S.D, Selmer, M, Sanyal, S. | | 登録日 | 2023-05-11 | | 公開日 | 2024-05-22 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | | 主引用文献 | The compensatory mechanism of a naturally evolved
E167K RF2 counteracting the loss of
RF1 in bacteria
To Be Published
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6LQX
 | | Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7 | | 分子名称: | (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, CREB-binding protein, SODIUM ION | | 著者 | Chen, Y, Zhang, F, Sun, Z, Bi, X, Luo, C. | | 登録日 | 2020-01-14 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Design, synthesis and biological evaluation of novel small molecule inhibitor of the CBP bromodomain with possible anti-leukemia effects
To Be Published
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6UNL
 | | CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 著者 | Sevrioukova, I. | | 登録日 | 2019-10-12 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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3W2U
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-193 | | 分子名称: | 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-12-05 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-193
To be Published
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6M96
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4GQF
 | | Aeropyrum pernix Peroxiredoxin Q Enzyme in the Locally Unfolded Conformation | | 分子名称: | GLYCEROL, SULFATE ION, Thiol peroxidase | | 著者 | Perkins, A, Karplus, P.A, Gretes, M.C, Nelson, K.J, Poole, L.B. | | 登録日 | 2012-08-22 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mapping the Active Site Helix-to-Strand Conversion of CxxxxC Peroxiredoxin Q Enzymes.
Biochemistry, 51, 2012
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5Y96
 | | Crystal structure of ANXUR1 extracellular domain from Arabidopsis thaliana | | 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, Receptor-like protein kinase ANXUR1 | | 著者 | Du, S, Xiao, J.Y. | | 登録日 | 2017-08-22 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of the extracellular domains of the CrRLK1L receptor-like kinases ANXUR1 and ANXUR2
Protein Sci., 27, 2018
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3W85
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-139 | | 分子名称: | 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2013-03-12 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-139
To be Published
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5UGS
 | | Crystal structure of M. tuberculosis InhA inhibited by PT501 | | 分子名称: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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2OR2
 | | Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C | | 分子名称: | 1-phosphatidylinositol phosphodiesterase | | 著者 | Shao, C, Shi, X, Wehbi, H, Zambonelli, C, Head, J.F, Seaton, B.A, Roberts, M.F. | | 登録日 | 2007-02-01 | | 公開日 | 2007-02-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C.
J.Biol.Chem., 282, 2007
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8P18
 | | E167K RF2 on E. coli 70S release complex with UGG (Structure III) | | 分子名称: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | 著者 | Pundir, S, Larsson, D.S.D, Selmer, M, Sanyal, S. | | 登録日 | 2023-05-11 | | 公開日 | 2024-05-22 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | The compensatory mechanism of a naturally evolved
E167K RF2 counteracting the loss of
RF1 in bacteria
To Be Published
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