5K4P
 
 | | Catalytic Domain of MCR-1 phosphoethanolamine transferase | | 分子名称: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, sorbitol | | 著者 | Stojanoski, V, Palzkill, T, Prasad, B.V.V, Sankaran, B. | | 登録日 | 2016-05-21 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.318 Å) | | 主引用文献 | Structure of the catalytic domain of the colistin resistance enzyme MCR-1.
Bmc Biol., 14, 2016
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8TO9
 | | Cryo-EM structure of TRNM-f*01 Fab in complex with HIV-1 Env trimer ConC SOSIP | | 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, Envelope glycoprotein gp120, ... | | 著者 | Roark, R.S, Morano, N.C, Shapiro, L.S, Kwong, P.D. | | 登録日 | 2023-08-03 | | 公開日 | 2024-08-07 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (4.03 Å) | | 主引用文献 | Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques.
Cell, 187, 2024
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6R5N
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7CID
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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9EMV
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | 登録日 | 2024-03-11 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
Elife, 2024
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9EPX
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | | 分子名称: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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5KDE
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | | 分子名称: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | | 著者 | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2016-06-08 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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6HVH
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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9EPV
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | | 分子名称: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EPY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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6I18
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2018-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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1M2Q
 | | Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9-one/CK2 kinase complex | | 分子名称: | 1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE, Casein kinase II, alpha chain | | 著者 | De Moliner, E, Sarno, S, Moro, S, Zagotto, G, Zanotti, G, Pinna, L.A, Battistutta, R. | | 登録日 | 2002-06-25 | | 公開日 | 2003-06-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Inhibition of protein kinase CK2 by anthraquinone-related compounds. A
structural insight
J.Biol.Chem., 278, 2003
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5MXX
 | | Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, ... | | 著者 | Tallant, C, Redondo, C, Batson, J, Toop, H.D, Babaebi-Jadidib, R, Savitsky, P, Elkins, J.M, Newman, J.A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bates, D.O, Morris, J.C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2017-01-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017
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8FK5
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6OPQ
 | | CD4- and 17-bound HIV-1 Env B41 SOSIP frozen with LMNG | | 分子名称: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | | 登録日 | 2019-04-25 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
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8FL1
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6AMP
 | | Crystal structure of H172A PHM (CuH absent, CuM present) | | 分子名称: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | 登録日 | 2017-08-10 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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5KGS
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | | 分子名称: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Maize, K.M, Aldrich, C.C, Finzel, B.C. | | 登録日 | 2016-06-13 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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4ZJS
 | | Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A. | | 分子名称: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor,Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor | | 著者 | Talley, T.T, Bobango, J, Wu, J, Park, J.F, Luo, J, Lindsatrom, J, Taylor, P. | | 登録日 | 2015-04-29 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.2301 Å) | | 主引用文献 | Main immunogenic region structure promotes binding of conformation-dependent myasthenia gravis autoantibodies, nicotinic acetylcholine receptor conformation maturation, and agonist sensitivity.
J. Neurosci., 29, 2009
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6H2U
 | | Crystal structure of human METTL5-TRMT112 complex, the 18S rRNA m6A1832 methyltransferase at 1.6A resolution | | 分子名称: | 1,2-ETHANEDIOL, Methyltransferase-like protein 5, Multifunctional methyltransferase subunit TRM112-like protein, ... | | 著者 | van Tran, N, Graille, M. | | 登録日 | 2018-07-16 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The human 18S rRNA m6A methyltransferase METTL5 is stabilized by TRMT112.
Nucleic Acids Res., 47, 2019
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6RNT
 | | CRYSTAL STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ADENOSINE 2'-MONOPHOSPHATE AT 1.8-ANGSTROMS RESOLUTION | | 分子名称: | ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, RIBONUCLEASE T1 | | 著者 | Ding, J, Koellner, G, Grunert, H.-P, Saenger, W. | | 登録日 | 1991-08-20 | | 公開日 | 1993-01-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of ribonuclease T1 complexed with adenosine 2'-monophosphate at 1.8-A resolution.
J.Biol.Chem., 266, 1991
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8S3E
 | | Structure of rabbit Slo1 in complex with gamma1/LRRC26 | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | 著者 | Redhardt, M, Raunser, S, Raisch, T. | | 登録日 | 2024-02-20 | | 公開日 | 2024-04-10 | | 最終更新日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (2.39 Å) | | 主引用文献 | Cryo-EM structure of the Slo1 potassium channel with the auxiliary gamma 1 subunit suggests a mechanism for depolarization-independent activation.
Febs Lett., 598, 2024
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5N1Q
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS AT 1.9 A RESOLUTION | | 分子名称: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | 著者 | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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9HWR
 | | Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#827 at 1.40 Angstrom resolution | | 分子名称: | 1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2025-01-06 | | 公開日 | 2025-09-03 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Angew.Chem.Int.Ed.Engl., 64, 2025
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4QRE
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