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4P5E
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BU of 4p5e by Molmil
CRYSTAL STRUCTURE OF HUMAN DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, CALCIUM ION
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2014-03-16
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities.
Eur.J.Med.Chem., 85C, 2014
6FJB
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BU of 6fjb by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-O-prop-2-yn-1-yladenosine, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Labesse, G.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
7ENQ
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BU of 7enq by Molmil
Crystal structure of human NAMPT in complex with compound NAT
分子名称: 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y.
登録日2021-04-19
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.204966 Å)
主引用文献Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
5HYS
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BU of 5hys by Molmil
Structure of IgE complexed with omalizumab
分子名称: Epididymis luminal protein 214, Ig epsilon chain C region, SULFATE ION, ...
著者Pennington, L.F, Tarchevskaya, S.S, Sathiyamoorthy, K, Jardetzky, T.S.
登録日2016-02-01
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of omalizumab therapy and omalizumab-mediated IgE exchange.
Nat Commun, 7, 2016
3J2T
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BU of 3j2t by Molmil
An improved model of the human apoptosome
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Cytochrome c, ...
著者Yuan, S, Topf, M, Akey, C.W.
登録日2012-12-23
公開日2013-04-10
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献Changes in apaf-1 conformation that drive apoptosome assembly.
Biochemistry, 52, 2013
6FJ0
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BU of 6fj0 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-01-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FKZ
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BU of 6fkz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-CPS1 peptide
分子名称: 3(R)-(phenylthio)succinyl-CPS1 peptide, 3(S)-(phenylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6FLE
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BU of 6fle by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-01-25
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FKY
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BU of 6fky by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide
分子名称: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6FP5
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BU of 6fp5 by Molmil
Crystal structure of ZAD-domain of CG2712 protein from D.melanogaster
分子名称: CG2712, GLYCEROL, ZINC ION
著者Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Kachalova, G.S, Georgiev, P.G, Popov, V.O.
登録日2018-02-09
公開日2019-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of diversity and homodimerization specificity of zinc-finger-associated domains in Drosophila.
Nucleic Acids Res., 49, 2021
6FRP
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BU of 6frp by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-azido-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-02-16
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献None
To be published
6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-02-02
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献None
To be published
5AO1
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BU of 5ao1 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO2
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BU of 5ao2 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5UCW
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BU of 5ucw by Molmil
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
分子名称: NADPH-cytochrome P450 reductase 102A1V3, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, R.K, Buller, A.R, Arnold, F.H.
登録日2016-12-22
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enantioselective, intermolecular benzylic C-H amination catalysed by an engineered iron-haem enzyme.
Nat Chem, 9, 2017
6FR1
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BU of 6fr1 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-02-15
公開日2019-03-13
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献None
To be published
4QNZ
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BU of 4qnz by Molmil
Crystal structure of rhomboid intramembrane protease GlpG F146I in complex with peptide derived inhibitor Ac-FATA-cmk
分子名称: ACE-PHE-ALA-THR-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Zoll, S, Strisovsky, K.
登録日2014-06-19
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
5EG2
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BU of 5eg2 by Molmil
SET7/9 N265A in complex with AdoHcy and TAF10 peptide
分子名称: Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
著者Kroner, G.M, Fick, R.J, Trievel, R.C.
登録日2015-10-26
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9.
Acs Chem.Biol., 11, 2016
3TH0
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BU of 3th0 by Molmil
P22 Tailspike complexed with S.Paratyphi O antigen octasaccharide
分子名称: Bifunctional tail protein, GLYCEROL, alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
著者Andres, D, Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
登録日2011-08-18
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers.
Glycobiology, 23, 2013
2AGK
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BU of 2agk by Molmil
Structure of S. cerevisiae His6 protein
分子名称: 1,2-ETHANEDIOL, 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, CHLORIDE ION, ...
著者Tilbeurgh, H.V, Paris-Sud Yeast Structural Genomics (YSG)
登録日2005-07-27
公開日2006-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the yeast His6 enzyme suggests a reaction mechanism
Protein Sci., 15, 2006
6FLV
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BU of 6flv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-01-29
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献None
To be published
5AO0
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BU of 5ao0 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 41-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.731 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO3
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BU of 5ao3 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-626) bound to GTP
分子名称: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO4
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BU of 5ao4 by Molmil
Crystal structure of in vitro phosphorylated human SAMHD1 (amino acid residues 115-626) bound to GTP
分子名称: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE
著者Arnold, L.H, Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
6FQ7
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BU of 6fq7 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-02-13
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献None
To be published

222415

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