7BR3
 
 | | Crystal structure of the protein 1 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | | 著者 | Cheng, L, Shao, Z. | | 登録日 | 2020-03-26 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
|
|
7M74
 | | ATP-bound AMP-activated protein kinase | | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | 著者 | Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K. | | 登録日 | 2021-03-26 | | 公開日 | 2021-12-15 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
|
|
6KTZ
 | | The complex structure of EanB/C412S with hercynine | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Wu, L, Liu, P.H, Zhou, J.H. | | 登録日 | 2019-08-29 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
|
|
6L1P
 | | Crystal structure of PHF20L1 in complex with Hit 1 | | 分子名称: | 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol, GLYCEROL, PHD finger protein 20-like protein 1, ... | | 著者 | Lv, M.Q, Gao, J. | | 登録日 | 2019-09-29 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.231 Å) | | 主引用文献 | Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
|
|
5DPM
 | |
3IQ7
 | | Crystal Structure of human Haspin in complex with 5-Iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | | 著者 | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-08-19 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
9CFB
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor BC674 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide, SODIUM ION | | 著者 | Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | 登録日 | 2024-06-27 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
|
|
6L40
 | | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | | 分子名称: | ATP-dependent Clp protease proteolytic subunit, [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid | | 著者 | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | | 登録日 | 2019-10-15 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | | 主引用文献 | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
|
|
5G0M
 | | beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound | | 分子名称: | (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION | | 著者 | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2016-03-21 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family
To be Published
|
|
4GG5
 | | Crystal structure of CMET in complex with novel inhibitor | | 分子名称: | 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor | | 著者 | Liu, Q.F, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-08-05 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.423 Å) | | 主引用文献 | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
9QEG
 | | Cryo-EM structure of the 70S ribosome of a MLSb sensitive S. aureus strain "KES34" in complex with solithromycin | | 分子名称: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S ribosomal RNA, 23S ribosomal RNA, ... | | 著者 | Rivalta, A, Yonath, A. | | 登録日 | 2025-03-10 | | 公開日 | 2025-06-04 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.21 Å) | | 主引用文献 | Structural studies on ribosomes of differentially macrolide-resistant Staphylococcus aureus strains.
Life Sci Alliance, 8, 2025
|
|
2WK0
 | | Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate. | | 分子名称: | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, BETA-LACTAMASE, CHLORIDE ION, ... | | 著者 | Sauvage, E, Zervosen, A, Dive, G, Herman, R, Kerff, F, Amoroso, A, Fonze, E, Pratt, R.F, Luxen, A, Charlier, P. | | 登録日 | 2009-06-03 | | 公開日 | 2009-12-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
|
|
4K2G
 | | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | | 分子名称: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | | 著者 | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | | 登録日 | 2013-04-09 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
|
|
4NCY
 | | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | | 分子名称: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | 著者 | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | 登録日 | 2013-10-25 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
9CED
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor VK13 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | 登録日 | 2024-06-26 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
|
|
5FJY
 | | Crystal structure of mouse kinesin light chain 2 (residues 161-480) | | 分子名称: | KINESIN LIGHT CHAIN 2, UNKNOWN PEPTIDE | | 著者 | Pernigo, S, Yip, Y.Y, Sanger, A, Xu, M, Dodding, M.P, Steiner, R.A. | | 登録日 | 2015-10-14 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | The Light Chains of Kinesin-1 are Autoinhibited.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
8TDU
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | | 分子名称: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | 登録日 | 2023-07-05 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
|
|
4QYX
 | | Crystal structure of YDR533Cp | | 分子名称: | Probable chaperone protein HSP31 | | 著者 | Wilson, M.A, Amour, S.T, Collins, J.L, Ringe, D, Petsko, G.A. | | 登録日 | 2014-07-26 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | The 1.8-A resolution crystal structure of YDR533Cp from Saccharomyces cerevisiae: A member of the DJ-1/ThiJ/PfpI superfamily.
Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
5DOU
 | | Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), ligand-bound form | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | de Cima, S, Polo, L.M, Fita, I, Rubio, V. | | 登録日 | 2015-09-11 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
|
|
6FAI
 | | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit | | 分子名称: | 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | 著者 | Scaiola, A, Pena, C, Weisser, M, Boehringer, D, Leibundgut, M, Klingauf-Nerurkar, P, Gerhardy, S, Panse, V.G, Ban, N. | | 登録日 | 2017-12-15 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit.
EMBO J., 37, 2018
|
|
5XKR
 | | Crystal structure of Msmeg3575 in complex with benzoguanamine | | 分子名称: | 6-phenyl-1,3,5-triazine-2,4-diamine, ACETATE ION, CMP/dCMP deaminase, ... | | 著者 | Gaded, V.M, Anand, R. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Selective Deamination of Mutagens by a Mycobacterial Enzyme
J. Am. Chem. Soc., 139, 2017
|
|
7HCP
 | |
5TXX
 | | DNA Polymerase Mu Pre-Catalytic Ground State Ternary Complex, Ca2+ | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2016-11-17 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | | 主引用文献 | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
|
|
7HCQ
 | |
7HCN
 | |
