7KG1
| Structure of human PARG complexed with PARG-002 | 分子名称: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | 登録日 | 2020-10-15 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
|
|
7BDO
| MAPK14 bound with SR302 | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | 著者 | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
|
|
7BDQ
| MAPK14 bound with SR300 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | 著者 | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
|
|
7KG7
| Structure of human PARG complexed with PARG-292 | 分子名称: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | 登録日 | 2020-10-16 | 公開日 | 2021-03-10 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
|
|
4CME
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | 分子名称: | N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | 著者 | Barrack, K.L, Hunter, W.N. | 登録日 | 2014-01-16 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
|
|
4CLD
| |
7KG0
| Structure of human PARG complexed with PARG-131 | 分子名称: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | 著者 | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | 登録日 | 2020-10-15 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
|
|
4CMJ
| |
7KG6
| Structure of human PARG complexed with PARG-322 | 分子名称: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | 登録日 | 2020-10-16 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
|
|
1PI1
| Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways. | 分子名称: | Mob1A, ZINC ION | 著者 | Stavridi, E.S, Harris, K.G, Huyen, Y, Bothos, J, Voewerd, P.M, Stayrook, S.E, Jeffrey, P.D, Pavletich, N.P, Luca, F.C. | 登録日 | 2003-05-29 | 公開日 | 2003-09-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a human mob1 protein. Toward understanding mob-regulated cell cycle pathways. Structure, 11, 2003
|
|
7KG8
| Structure of human PARG complexed with PARG-061 | 分子名称: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | 登録日 | 2020-10-16 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
|
|
7BEQ
| MicroED structure of the MyD88 TIR domain higher-order assembly | 分子名称: | Myeloid differentiation primary response protein MyD88 | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | 登録日 | 2020-12-24 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (3 Å) | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography. Nat Commun, 12, 2021
|
|
7BER
| SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly) | 分子名称: | Myeloid differentiation primary response protein MyD88 | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | 登録日 | 2020-12-24 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography. Nat Commun, 12, 2021
|
|
7FBP
| FXIIa-cMCoFx1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1 | 著者 | Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K. | 登録日 | 2021-07-12 | 公開日 | 2021-11-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold. J.Am.Chem.Soc., 143, 2021
|
|
6ALJ
| ALDH1A2 liganded with NAD and compound WIN18,446 | 分子名称: | Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Chen, Y, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2017-08-08 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors. ACS Chem. Biol., 13, 2018
|
|
4CM7
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | 分子名称: | 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Barrack, K.L, Hunter, W.N. | 登録日 | 2014-01-15 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
|
|
6NSU
| Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States | 分子名称: | DIDEHYDROASPARTATE, IRON/SULFUR CLUSTER, Quinolinate synthase A | 著者 | Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J. | 登録日 | 2019-01-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase. J.Am.Chem.Soc., 141, 2019
|
|
6AGB
| Cryo-EM structure of yeast Ribonuclease P | 分子名称: | RNases MRP/P 32.9 kDa subunit, Ribonuclease P RNA, Ribonuclease P protein subunit RPR2, ... | 著者 | Lan, P, Tan, M, Wu, J, Lei, M. | 登録日 | 2018-08-10 | 公開日 | 2018-10-17 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | 主引用文献 | Structural insight into precursor tRNA processing by yeast ribonuclease P. Science, 362, 2018
|
|
7SNO
| Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase | 分子名称: | 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, Arylsulfatase, ... | 著者 | Ulaganathan, T, Cygler, M. | 登録日 | 2021-10-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
|
|
7BPH
| |
7F64
| eIF2B-SFSV NSs | 分子名称: | Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | 著者 | Kashiwagi, K, Ito, T. | 登録日 | 2021-06-24 | 公開日 | 2021-12-08 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.42 Å) | 主引用文献 | eIF2B-capturing viral protein NSs suppresses the integrated stress response. Nat Commun, 12, 2021
|
|
4CMB
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | 分子名称: | ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Barrack, K.L, Hunter, W.N. | 登録日 | 2014-01-16 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
|
|
7SNJ
| Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ... | 著者 | Ulaganathan, T, Cygler, M. | 登録日 | 2021-10-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
|
|
4CM8
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | 分子名称: | (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | 著者 | Barrack, K.L, Hunter, W.N. | 登録日 | 2014-01-15 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
|
|
1JHB
| |