8DVM
 
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | 登録日 | 2022-07-29 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
|
|
6S7P
 | | Nucleotide bound ABCB4 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ... | | 著者 | Olsen, J.A, Alam, A, Kowal, J, Stieger, B, Locher, K.P. | | 登録日 | 2019-07-05 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure of the human lipid exporter ABCB4 in a lipid environment.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6UGZ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-208 | | 分子名称: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
|
|
1RGL
 | | RNASE T1 MUTANT GLU46GLN BINDS THE INHIBITORS 2'GMP AND 2'AMP AT THE 3' SUBSITE | | 分子名称: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 | | 著者 | Granzin, J, Puras-Lutzke, R, Landt, O, Grunert, H.-P, Heinemann, U, Saenger, W, Hahn, U. | | 登録日 | 1992-02-19 | | 公開日 | 1993-01-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | RNase T1 mutant Glu46Gln binds the inhibitors 2'GMP and 2'AMP at the 3' subsite.
J.Mol.Biol., 225, 1992
|
|
4IE9
 | | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | | 分子名称: | GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | | 著者 | Dreyer, M.K, Schiffer, A, Lodge, J. | | 登録日 | 2012-12-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
|
|
9OIN
 | | The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 13 | | 分子名称: | 1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine, Elongin-B, Elongin-C, ... | | 著者 | Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W. | | 登録日 | 2025-05-06 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex
Acs Med.Chem.Lett., 2025
|
|
1QK3
 | | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE GMP COMPLEX | | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE | | 著者 | Heroux, A, White, E.L, Ross, L.J, Borhani, D.W. | | 登録日 | 1999-07-09 | | 公開日 | 1999-10-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex
Biochemistry, 38, 1999
|
|
9OIQ
 | | The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 15 | | 分子名称: | 2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol, Elongin-B, Elongin-C, ... | | 著者 | Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W. | | 登録日 | 2025-05-06 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex
Acs Med.Chem.Lett., 2025
|
|
3P6F
 | |
6RG3
 | | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide | | 分子名称: | 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Ferraroni, M, Angeli, A, Supuran, C. | | 登録日 | 2019-04-16 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
|
|
9ILN
 | | ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor | | 分子名称: | 5-ethyl-1-[[3-[(3~{R})-4-ethyl-3-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]pyrimidine-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | | 著者 | Wang, X.Y, Tian, S.Y, Zhou, J, Xu, B.L. | | 登録日 | 2024-07-01 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a inhibitor
To Be Published
|
|
9IM8
 | | Mutated ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor | | 分子名称: | 5-ethyl-1-[[3-[(3~{R})-4-ethyl-3-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]pyrimidine-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | 著者 | Wang, X.Y, Tian, S.Y, Zhou, J, Xu, B.L. | | 登録日 | 2024-07-02 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mutated ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor
To Be Published
|
|
9IX7
 | | Crystal structure of homolog of dihydroxyacid dehydratase(AstD) from Aspergillus terreus | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, dihydroxy-acid dehydratase | | 著者 | Huang, W.X, Zhang, P.X, Zhou, J.H. | | 登録日 | 2024-07-26 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural Bases of Dihydroxy Acid Dehydratase Inhibition and Biodesign for Self-Resistance.
Biodes Res, 6, 2024
|
|
3T51
 | | Crystal structures of the pre-extrusion and extrusion states of the CusBA adaptor-transporter complex | | 分子名称: | COPPER (II) ION, Cation efflux system protein CusA, Cation efflux system protein CusB | | 著者 | Su, C.-C, Long, F, Yu, E.W. | | 登録日 | 2011-07-26 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | | 主引用文献 | Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System.
J.Mol.Biol., 422, 2012
|
|
8DH9
 | |
9QEM
 | | Crystal structure of YTHDF2 in complex with compound 3 (AI-DF2-11) | | 分子名称: | 5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, CHLORIDE ION, GLYCEROL, ... | | 著者 | Nai, F, Invernizzi, A, Caflisch, A. | | 登録日 | 2025-03-10 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Discovery of YTHDF2 Ligands by Fragment-Based Design
Acs Bio Med Chem Au, 2025
|
|
9QEO
 | |
4IDZ
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-oxalylglycine (NOG) | | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-OXALYLGLYCINE, ... | | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | | 登録日 | 2012-12-13 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
|
|
9QFL
 | | Crystal structure of YTHDF2 in complex with compound 15 (AI-DF2-68) | | 分子名称: | 6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | 著者 | Nai, F, Invernizzi, A, Caflisch, A. | | 登録日 | 2025-03-11 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of YTHDF2 Ligands by Fragment-Based Design
Acs Bio Med Chem Au, 2025
|
|
6UGN
 | | Human Carbonic Anhydrase 2 complexed with SB4-205 | | 分子名称: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Supuran, C.T, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
|
|
9R0X
 | |
1QK5
 | | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE WITH XMP, PYROPHOSPHATE AND TWO MG2+ IONS | | 分子名称: | HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | 著者 | Heroux, A, White, E.L, Ross, L.J, Davis, R.L, Borhani, D.W. | | 登録日 | 1999-07-09 | | 公開日 | 1999-10-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase with Xmp, Pyrophosphate and Two Mg2+ Ions Bound: Insights Into the Catalytic Mechanism
Biochemistry, 38, 1999
|
|
3T84
 | |
4IGS
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | | 分子名称: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | 登録日 | 2012-12-18 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
1YO1
 | | Proton Transfer from His200 in Human Carbonic Anhydrase II | | 分子名称: | Carbonic anhydrase II, SULFATE ION, ZINC ION | | 著者 | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | | 登録日 | 2005-01-26 | | 公開日 | 2005-09-20 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
|
|
