8C5G
 
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1GJG
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | | 分子名称: | IGFBP-1 antagonist, PENTANE | | 著者 | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | 登録日 | 2001-05-11 | | 公開日 | 2001-05-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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1AXO
 | | STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC) | | 著者 | Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | 登録日 | 1997-10-16 | | 公開日 | 1998-07-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
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9H5E
 | | NNMT-SAH IN COMPLEX WITH 1p | | 分子名称: | 6-methoxy-1-methyl-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Johansson, P. | | 登録日 | 2024-10-22 | | 公開日 | 2025-05-21 | | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | | 主引用文献 | Mechanism and kinetics of turnover inhibitors of nicotinamide N-methyl transferase in vitro and in vivo.
J.Biol.Chem., 301, 2025
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8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | 分子名称: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | 著者 | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | 登録日 | 2022-11-02 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
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7SEW
 | | M. tb EgtD in complex with HD6 | | 分子名称: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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8F5U
 | | Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | 著者 | Holyoak, T, Fenton, A.W. | | 登録日 | 2022-11-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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6TGU
 | | Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | | 分子名称: | 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | | 著者 | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | 登録日 | 2019-11-18 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (0.833 Å) | | 主引用文献 | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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5Z9M
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5LYW
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 6-((R)-2-o-Tolyloxymethyl-pyrrolidin-1-yl)-9H-purine | | 分子名称: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Musil, D, Heinrich, T, Knoechel, T, Lehmann, M. | | 登録日 | 2016-09-28 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
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7Y4T
 | | Crystal structure of cMET kinase domain bound by compound 9I | | 分子名称: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | | 著者 | Qu, L.Z, Chen, Y.H. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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8ESM
 | | Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor | | 分子名称: | Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid | | 著者 | Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. | | 登録日 | 2022-10-14 | | 公開日 | 2023-06-07 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
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8ETM
 | | Human triacylglycerol synthesizing enzyme DGAT1 in complex with DGAT1IN1 inhibitor | | 分子名称: | Diacylglycerol O-acyltransferase 1, [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid | | 著者 | Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. | | 登録日 | 2022-10-17 | | 公開日 | 2023-06-07 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
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5A60
 | | Crystal structure of full-length E. coli ygiF in complex with tripolyphosphate and two magnesium ions | | 分子名称: | 1,2-ETHANEDIOL, INORGANIC TRIPHOSPHATASE, MAGNESIUM ION, ... | | 著者 | Martinez, J, Truffault, V, Hothorn, M. | | 登録日 | 2015-06-23 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
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8FG8
 | | Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one | | 分子名称: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Schormann, N, Deivanayagam, C, Velu, S. | | 登録日 | 2022-12-12 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans .
J.Med.Chem., 66, 2023
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6JBC
 | | Phosphotransferase related to CoA biosynthesis pathway | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | | 登録日 | 2019-01-25 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of pantoate kinase from Thermococcus kodakarensis.
Proteins, 88, 2020
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7UJN
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7ZAC
 | | Sam68 | | 分子名称: | 1,2-ETHANEDIOL, KHDR1 protein, NITRATE ION | | 著者 | Nadal, M, Fuentes-Prior, P. | | 登録日 | 2022-03-22 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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8K11
 | | SID1 transmembrane family member 2 | | 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, SID1 transmembrane family member 2 | | 著者 | Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X. | | 登録日 | 2023-07-10 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
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8EYA
 | | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | | 登録日 | 2022-10-26 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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5IXP
 | | Crystal structure of Extracellular solute-binding protein family 1 | | 分子名称: | Extracellular solute-binding protein family 1, FORMIC ACID | | 著者 | Chang, C, Cuff, M, Chhor, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2016-03-23 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Crystal structure of Extracellular solute-binding protein family 1
To Be Published
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7YWZ
 | | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 4 spermine molecules at 1.75 A resolution | | 分子名称: | GLYCEROL, Oligopeptidase B, SPERMINE | | 著者 | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | | 登録日 | 2022-02-15 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 4 spermine molecules at 1.75 A resolution
To Be Published
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5J0M
 | | Ground state sampled during RDC restrained Replica-averaged Metadynamics (RAM) simulations of the HIV-1 TAR complexed with cyclic peptide mimetic of Tat | | 分子名称: | Apical region (29-mer) of the HIV-1 TAR RNA element, Cyclic peptide mimetic of HIV-1 Tat | | 著者 | Borkar, A.N, Bardaro Jr, M.F, Varani, G, Vendruscolo, M. | | 登録日 | 2016-03-28 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-11-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of a low-population binding intermediate in protein-RNA recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7Z97
 | | Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole | | 分子名称: | 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kratky, J, Weisse, R, Strater, N. | | 登録日 | 2022-03-20 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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9FZR
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