Author results

6BB1
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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
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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
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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
6BAD
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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
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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
5YJ8
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IDENTIFICATION OF A SMALL MOLECULE INHIBITOR FOR THE TUDOR DOMAIN OF TDRD3
分子名称:Tudor domain-containing protein 3, 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION
著者Liu, J., Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
6B7M
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CRYSTAL STRUCTURE OF LEGIONELLA EFFECTOR SDED (LPG2509) IN COMPLEX WITH UBIQUITIN
分子名称:SdeD (lpg2509), Polyubiquitin-C
著者Mao, Y., Akturk, A., Wasilko, J.
登録日2017-10-04
公開日2018-04-18
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
6B7O
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CRYSTAL STRUCTURE OF LEGIONELLA EFFECTOR SDED (LPG2509) H67A IN COMPLEX WITH ADP-RIBOSYLATED UBIQUITIN
分子名称:SdeD (lpg2509) H67A, Polyubiquitin-C, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Mao, Y., Akturk, A., Wasilko, J.
登録日2017-10-04
公開日2018-04-18
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
6B7P
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CRYSTAL STRUCTURE OF LEGIONELLA EFFECTOR SDED (LPG2509)
分子名称:SdeD
著者Mao, Y., Akturk, A., Wasilko, J.
登録日2017-10-04
公開日2018-04-18
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
6B7Q
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CRYSTAL STRUCTURE OF LEGIONELLA EFFECTOR PROTEIN SDEA (LPG2157) AA. 211-910
分子名称:SdeA, MERCURY (II) ION
著者Mao, Y., Akturk, A., Wasilko, J.
登録日2017-10-04
公開日2018-04-18
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
6EK2
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CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 10
分子名称:CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Harris, S.F., Villasenor, A., Kuglstatter, A.
登録日2017-09-25
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
6EJM
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CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 5
分子名称:CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Kuglstatter, A., Harris, S.F., Villasenor, A.
登録日2017-09-22
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
5YFG
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SOLUTION STRUCTURE OF HUMAN MOG1
分子名称:Ran guanine nucleotide release factor
著者Hu, Q., Liu, Y., Bao, X., Liu, H.
登録日2017-09-21
公開日2017-11-01
最終更新日2018-04-11
実験手法SOLUTION NMR
主引用文献Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6B3E
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CRYSTAL STRUCTURE OF HUMAN CDK12/CYCLINK IN COMPLEX WITH AN INHIBITOR
分子名称:Cyclin-dependent kinase 12, Cyclin-K, MAGNESIUM ION, ...
著者Ferguson, A.D.
登録日2017-09-21
公開日2017-12-27
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
6EJG
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CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 4
分子名称:CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Harris, S.F., Wong, A., Kuglstatter, A.
登録日2017-09-21
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
6EJ4
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DYRK1A IN COMPLEX WITH XMD7-112
分子名称:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
著者Rothweiler, U.
登録日2017-09-20
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6B21
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CRYSTAL STRUCTURE OF AMTB FROM E. COLI BOUND TO TOPFLUOR CARDIOLIPIN
分子名称:Ammonia channel, [(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron
著者Boone, C.D., Laganowsky, A.
登録日2017-09-19
公開日2018-03-07
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Allostery revealed within lipid binding events to membrane proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EIF
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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
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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
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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
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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
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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
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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
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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
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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