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PDB: 15 件
5HBR
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BU of 5hbr by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and coenzyme A
分子名称: COENZYME A, MAGNESIUM ION, PHOSPHATE ION, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2016-01-02
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4W8G
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BU of 4w8g by Molmil
Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form I)
分子名称: Toll-receptor-related 2
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2014-08-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form I)
To Be Published
4W8H
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BU of 4w8h by Molmil
Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form II)
分子名称: CHLORIDE ION, Toll-receptor-related 2, hexa-His tag
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2014-08-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form II)
To Be Published
4YBZ
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BU of 4ybz by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and with phosphorylated phosphohistidine segment (site I orientation)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, alpha subunit of Acyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-19
公開日2016-01-27
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YB8
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BU of 4yb8 by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-18
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y8V
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BU of 4y8v by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, alpha subunit of acetyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-16
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XZ3
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BU of 4xz3 by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (Se-Met derivative) in complex with coenzyme A and Mg-AMPPCP, phosphohistidine segment pointing towards nucleotide binding site
分子名称: Acyl-CoA synthetase (NDP forming), COENZYME A, MAGNESIUM ION, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-03
公開日2016-01-27
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XYM
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BU of 4xym by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, Ca-AMPCP and HgCl+
分子名称: CALCIUM ION, CHLORIDE ION, COENZYME A, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-02
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XYL
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BU of 4xyl by Molmil
Ca. Korarchaeum cryptofilum ACD1 in complex with coenzyme A
分子名称: CHLORIDE ION, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-02
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YAK
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BU of 4yak by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, acetyl-coenzyme A and with phosphorylated phosphohistidine segment (site I orientation)
分子名称: ACETYL COENZYME *A, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-17
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YAJ
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BU of 4yaj by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (apo form)
分子名称: SODIUM ION, alpha subunit of Acetyl-coenzyme A synthetase (dinucleotide-forming) 3, beta subunit of Acetyl-coenzyme A synthetase (dinucleotide-forming) 3
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-17
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
8RLN
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BU of 8rln by Molmil
Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ...
著者Strater, N, Claff, T, Weisse, R.H, Muller, C.E.
登録日2024-01-03
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor.
Acs Pharmacol Transl Sci, 7, 2024
8Q71
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BU of 8q71 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P.
登録日2023-08-15
公開日2023-12-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
8ACL
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BU of 8acl by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
登録日2022-07-05
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
8ACD
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BU of 8acd by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S
分子名称: (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
登録日2022-07-05
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022

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件を2024-10-02に公開中

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