Author results

6BAZ
  • Download 6baz
  • View 6baz
Molmil generated image of 6baz
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR (S)-5-((2-CHLOROPHENYL)THIO)-6'-((4-FLUOROPHENYL)AMINO)-4-HYDROXY-2-(THIOPHEN-3-YL)-2,3-DIHYDRO-[2,2'-BIPYRIDIN]-6(1H)-ONE
分子名称:L-lactate dehydrogenase A chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB0
  • Download 6bb0
  • View 6bb0
Molmil generated image of 6bb0
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR (R)-3-((2-CHLOROPHENYL)THIO)-6-(3-((4-FLUOROPHENYL)AMINO)PHENYL)-4-HYDROXY-6-(THIOPHEN-3-YL)-5,6-DIHYDRO-2H-PYRAN-2-ONE
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB1
  • Download 6bb1
  • View 6bb1
Molmil generated image of 6bb1
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR (R)-5-((2-CHLOROPHENYL)THIO)-6'-(4-FLUOROPHENOXY)-4-HYDROXY-2-(THIOPHEN-3-YL)-2,3-DIHYDRO-[2,2'-BIPYRIDIN]-6(1H)-ONE
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB2
  • Download 6bb2
  • View 6bb2
Molmil generated image of 6bb2
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR (S)-5-((2-CHLOROPHENYL)THIO)-6'-(4-FLUOROPHENOXY)-4-HYDROXY-2-(THIOPHEN-3-YL)-2,3-DIHYDRO-[2,2'-BIPYRIDIN]-6(1H)-ONE
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB3
  • Download 6bb3
  • View 6bb3
Molmil generated image of 6bb3
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR 3-((2-CHLOROPHENYL)THIO)-6-(6-((4-FLUOROPHENYL)AMINO)PYRIDIN-2-YL)-4-HYDROXY-6-(THIOPHEN-3-YL)-5,6-DIHYDRO-2H-PYRAN-2-ONE
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Chen, Z., Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6MLC
  • Download 6mlc
  • View 6mlc
Molmil generated image of 6mlc
PHD6 DOMAIN OF MLL3 IN COMPLEX WITH HISTONE H4
分子名称:Histone-lysine N-methyltransferase 2C, Histone H4, ZINC ION, ...
著者Dong, A., Liu, Y., Qin, S., Lei, M., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
登録日2018-09-27
公開日2018-10-24
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
6BAD
  • Download 6bad
  • View 6bad
Molmil generated image of 6bad
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR (R)-3-((2-CHLOROPHENYL)THIO)-6-(3-((4-FLUOROPHENYL)AMINO)PHENYL)-4-HYDROXY-6-(THIOPHEN-3-YL)-5,6-DIHYDRO-2H-PYRAN-2-ONE
分子名称:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-12
公開日2018-10-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAG
  • Download 6bag
  • View 6bag
Molmil generated image of 6bag
LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR (R)-5-((2-CHLOROPHENYL)THIO)-6'-((4-FLUOROPHENYL)AMINO)-4-HYDROXY-2-(THIOPHEN-3-YL)-2,3-DIHYDRO-[2,2'-BIPYRIDIN]-6(1H)-ONE
分子名称:L-lactate dehydrogenase A chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Ultsch, M., Eigenbrot, C.
登録日2017-10-12
公開日2018-10-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6A3V
  • Download 6a3v
  • View 6a3v
Molmil generated image of 6a3v
COMPLEX STRUCTURE OF HUMAN 4-1BB AND 4-1BBL
分子名称:Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9, 2-acetamido-2-deoxy-beta-D-glucopyranose
著者Li, Y., Zhang, C., Chai, Y., Qi, J., Tien, P., Gao, S., Gao, G.F.
登録日2018-06-17
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.391 Å)
主引用文献Limited Cross-Linking of 4-1BB by 4-1BB Ligand and the Agonist Monoclonal Antibody Utomilumab.
Cell Rep, 25, 2018
6A3W
  • Download 6a3w
  • View 6a3w
Molmil generated image of 6a3w
COMPLEX STRUCTURE OF 4-1BB AND UTOMILUMAB
分子名称:utomilumab VH, utomilumab VL, Tumor necrosis factor receptor superfamily member 9, ...
著者Li, Y., Tan, S., Zhang, C., Chai, Y., Qi, J., Tien, P., Gao, S., Gao, G.F.
登録日2018-06-17
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Limited Cross-Linking of 4-1BB by 4-1BB Ligand and the Agonist Monoclonal Antibody Utomilumab.
Cell Rep, 25, 2018
6GSB
  • Download 6gsb
  • View 6gsb
Molmil generated image of 6gsb
SPHINGOBACTERIUM SP. T2 MANGANESE SUPEROXIDE DISMUTASE CATALYSES THE OXIDATIVE DEMETHYLATION OF POLYMERIC LIGNIN VIA GENERATION OF HYDROXYL RADICAL
分子名称:Superoxide dismutase, MANGANESE (II) ION
著者Rashid, G.M., Zhang, X., Wilkinson, R.C., Fulop, V., Cottyn, B., Baumberger, S., Bugg, D.H.
登録日2018-06-13
公開日2018-10-03
最終更新日2018-10-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Sphingobacterium sp. T2 Manganese Superoxide Dismutase Catalyzes the Oxidative Demethylation of Polymeric Lignin via Generation of Hydroxyl Radical.
ACS Chem. Biol., 13, 2018
6GSC
  • Download 6gsc
  • View 6gsc
Molmil generated image of 6gsc
SPHINGOBACTERIUM SP. T2 MANGANESE SUPEROXIDE DISMUTASE CATALYSES THE OXIDATIVE DEMETHYLATION OF POLYMERIC LIGNIN VIA GENERATION OF HYDROXYL RADICAL
分子名称:Superoxide dismutase, MANGANESE (II) ION
著者Rashid, G.M.M., Zhang, X., Wilkinson, R.C., Fulop, V., Cottyn, B., Baumberger, S., Bugg, T.D.H.
登録日2018-06-13
公開日2018-10-03
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Sphingobacterium sp. T2 Manganese Superoxide Dismutase Catalyzes the Oxidative Demethylation of Polymeric Lignin via Generation of Hydroxyl Radical.
ACS Chem. Biol., 13, 2018
6GRB
  • Download 6grb
  • View 6grb
Molmil generated image of 6grb
EUKARYOTIC JUNCTION-RESOLVING ENZYME GEN-1 BINDING WITH POTASSIUM
分子名称:Nuclease-like protein, DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), ...
著者Lilley, D.M.J., Liu, Y., Freeman, D.J.
登録日2018-06-11
公開日2018-09-26
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
6GRC
  • Download 6grc
  • View 6grc
Molmil generated image of 6grc
EUKARYOTIC JUNCTION-RESOLVING ENZYME GEN-1 BINDING WITH SODIUM
分子名称:Nuclease-like protein, DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), ...
著者Lilley, D.M.J., Liu, Y., Freeman, D.J.
登録日2018-06-11
公開日2018-09-26
最終更新日2019-02-13
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
6GRD
  • Download 6grd
  • View 6grd
Molmil generated image of 6grd
EUKARYOTIC JUNCTION-RESOLVING ENZYME GEN-1 BINDING WITH CESIUM
分子名称:Nuclease-like protein, DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), ...
著者Lilley, D.M.J., Liu, Y., Freeman, D.J.
登録日2018-06-11
公開日2018-09-26
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
6D5F
  • Download 6d5f
  • View 6d5f
Molmil generated image of 6d5f
CRYO-EM RECONSTRUCTION OF MEMBRANE-ENVELOPED FILAMENTOUS VIRUS SFV1 (SULFOLOBUS FILAMENTOUS VIRUS 1)
分子名称:Fimbrial protein, DNA (336-MER)
著者Wang, F., Osinski, T., Liu, Y., Krupovic, M., Prangishvili, D., Egelman, E.H.
登録日2018-04-19
公開日2018-08-29
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural conservation in a membrane-enveloped filamentous virus infecting a hyperthermophilic acidophile.
Nat Commun, 9, 2018
6DKL
  • Download 6dkl
  • View 6dkl
Molmil generated image of 6dkl
CRYSTAL STRUCTURE OF A RATIONALLY DESIGNED SIX-FOLD SYMMETRIC DNA SCAFFOLD
分子名称:DNA (5'-D(P*GP*GP*AP*TP*GP*CP*AP*CP*A)-3'), DNA (5'-D(P*CP*AP*CP*AP*CP*CP*GP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*TP*GP*CP*TP*GP*TP*GP*CP*T)-3'), ...
著者Simmons, C.R., Zhang, F., Yan, H.
登録日2018-05-29
公開日2018-08-29
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3.034 Å)
主引用文献Self-Assembly of a 3D DNA Crystal Structure with Rationally Designed Six-Fold Symmetry.
Angew. Chem. Int. Ed. Engl., 57, 2018
6EIF
  • Download 6eif
  • View 6eif
Molmil generated image of 6eif
DYRK1A IN COMPLEX WITH XMD7-117
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIJ
  • Download 6eij
  • View 6eij
Molmil generated image of 6eij
DYRK1A IN COMPLEX WITH HG-8-60-1
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIL
  • Download 6eil
  • View 6eil
Molmil generated image of 6eil
DYRK1A IN COMPLEX WITH XMD8-49
分子名称:DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
  • Download 6eip
  • View 6eip
Molmil generated image of 6eip
DYRK1A IN COMPLEX WITH XMD8-62E
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
  • Download 6eiq
  • View 6eiq
Molmil generated image of 6eiq
DYRK1A IN COMPLEX WITH XMD14-124
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIR
  • Download 6eir
  • View 6eir
Molmil generated image of 6eir
DYRK1A IN COMPLEX WITH XMD15-27-2
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIS
  • Download 6eis
  • View 6eis
Molmil generated image of 6eis
DYRK1A IN COMPLEX WITH JWC-055
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIV
  • Download 6eiv
  • View 6eiv
Molmil generated image of 6eiv
DYRK1A IN COMPLEX WITH JWD-065
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
167327
件を2020-08-05に公開中