5ZWH
 
 | | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having an ene-ynone group via conjugate addition reaction | | 分子名称: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, (E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, ... | | 著者 | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | 登録日 | 2018-05-15 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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7TLJ
 | | Rhodobacter sphaeroides Mitochondrial respiratory chain complex | | 分子名称: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 14 kDa peptide of ubiquinol-cytochrome c2 oxidoreductase complex, ... | | 著者 | Xia, D, Zhou, F, Esser, L, Huang, R. | | 登録日 | 2022-01-18 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin
to be published
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9H16
 | | Crystal structure of OXA-405 apoenzyme | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Hoff, J.F, Goudar, K.E, Hinchliffe, P, Spencer, J. | | 登録日 | 2024-10-09 | | 公開日 | 2025-09-03 | | 最終更新日 | 2025-09-24 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Electrostatic interactions influence diazabicyclooctane inhibitor potency against OXA-48-like beta-lactamases.
Rsc Med Chem, 2025
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5EWX
 | | Fusion protein of T4 lysozyme and B4 domain of protein A from staphylococcal aureus with chemical cross-linker EY-CBS | | 分子名称: | 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}, Endolysin,Immunoglobulin G-binding protein A,Endolysin | | 著者 | Jeong, W.H, Lee, H, Song, D.H, Lee, J.O. | | 登録日 | 2015-11-22 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Connecting two proteins using a fusion alpha helix stabilized by a chemical cross linker.
Nat Commun, 7, 2016
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1A80
 | | Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph | | 分子名称: | 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Khurana, S, Powers, D.B, Anderson, S, Blaber, M. | | 登録日 | 1998-03-31 | | 公開日 | 1999-03-30 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of 2,5-diketo-D-gluconic acid reductase A complexed with NADPH at 2.1-A resolution.
Proc.Natl.Acad.Sci.USA, 95, 1998
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8INU
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor nirmatrelvir | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Lin, M, Liu, X. | | 登録日 | 2023-03-10 | | 公開日 | 2024-03-13 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
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7RNT
 | | CRYSTAL STRUCTURE OF THE TYR45TRP MUTANT OF RIBONUCLEASE T1 IN A COMPLEX WITH 2'-ADENYLIC ACID | | 分子名称: | ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, RIBONUCLEASE T1 | | 著者 | Koellner, G, Grunert, H.-P, Landt, O, Saenger, W. | | 登録日 | 1991-08-20 | | 公開日 | 1993-01-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the Tyr45Trp mutant of ribonuclease T1 in a complex with 2'-adenylic acid.
Eur.J.Biochem., 201, 1991
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5EY3
 | | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with cytidine and sulphate | | 分子名称: | 1,2-ETHANEDIOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ... | | 著者 | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | 登録日 | 2015-11-24 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with cytidine and sulphate
To Be Published
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7BQ2
 | | X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | | 分子名称: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ... | | 著者 | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | 登録日 | 2020-03-23 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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8QYK
 | | Zorya anti-bacteriophage defense system ZorAB, ZorA delta_359-592, ZorA tail middle deletion. | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Anti-phage defense ZorAB system ZorA, CALCIUM ION, ... | | 著者 | Hu, H, Taylor, N.M.I. | | 登録日 | 2023-10-26 | | 公開日 | 2024-11-06 | | 最終更新日 | 2025-07-09 | | 実験手法 | ELECTRON MICROSCOPY (2.07 Å) | | 主引用文献 | Structure and mechanism of the Zorya anti-phage defence system.
Nature, 639, 2025
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6QEE
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4MQQ
 | | Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide | | 分子名称: | (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | 著者 | Finzel, B.C, Dai, R. | | 登録日 | 2013-09-16 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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4MRE
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5ZXB
 | | Crystal structure of ACK1 with compound 10d | | 分子名称: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | | 著者 | Hong, E.M, Kim, H.L, Sim, T.B. | | 登録日 | 2018-05-18 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.
J. Med. Chem., 61, 2018
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4MNV
 | | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2013-09-11 | | 公開日 | 2014-02-05 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
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9HEO
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7TQG
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8QYY
 | | Zorya anti-bacteriophage defense system ZorAB, ZorA delta_435-729, ZorA tail tip deletion. | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Anti-phage defense ZorAB system ZorA, CALCIUM ION, ... | | 著者 | Hu, H, Taylor, N.M.I. | | 登録日 | 2023-10-26 | | 公開日 | 2024-11-06 | | 最終更新日 | 2025-07-09 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Structure and mechanism of the Zorya anti-phage defence system.
Nature, 639, 2025
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8QYD
 | | Zorya anti-bacteriophage defense system ZorAB | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Anti-phage defense ZorAB system ZorA, CALCIUM ION, ... | | 著者 | Hu, H, Taylor, N.M.I. | | 登録日 | 2023-10-25 | | 公開日 | 2024-11-06 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | | 主引用文献 | Structure and mechanism of the Zorya anti-phage defence system.
Nature, 639, 2025
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8QYH
 | | Zorya anti-bacteriophage defense system ZorAB ZorA E86A_E89A, Calcium binding site mutation | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Anti-phage defense ZorAB system ZorA, CARDIOLIPIN, ... | | 著者 | Hu, H, Taylor, N.M.I. | | 登録日 | 2023-10-26 | | 公開日 | 2024-11-06 | | 最終更新日 | 2025-07-09 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Structure and mechanism of the Zorya anti-phage defence system.
Nature, 639, 2025
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6AD9
 | | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | | 分子名称: | 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma | | 著者 | Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J. | | 登録日 | 2018-07-31 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
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7BU0
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6A3C
 | | MVM NES mutant Nm12 in complex with CRM1-Ran-RanBP1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ... | | 著者 | Sun, Q, Li, Y. | | 登録日 | 2018-06-15 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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8IU0
 | | Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 H225F mutant in lipid nanodisc | | 分子名称: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ... | | 著者 | Tajima, S, Kim, Y, Nakamura, S, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E. | | 登録日 | 2023-03-23 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
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9HEQ
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