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8RFF
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BU of 8rff by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data
分子名称: 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
2YAC
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BU of 2yac by Molmil
Crystal structure of Polo-like kinase 1 in complex with NMS-P937
分子名称: 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
著者Bertrand, J.A, Bossi, R.T.
登録日2011-02-18
公開日2011-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
5DHR
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BU of 5dhr by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
8RF4
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BU of 8rf4 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data
分子名称: 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
5DI3
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BU of 5di3 by Molmil
Crystal structure of Arl13B in complex with Arl3 of Chlamydomonas reinhardtii
分子名称: ADP-ribosylation factor-like protein 13B, ADP-ribosylation factor-like protein 3, MAGNESIUM ION, ...
著者Gotthardt, K, Lokaj, M, Falk, N, Koerner, C, Giessl, A, Wittinghofer, A.
登録日2015-08-31
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A G-protein activation cascade from Arl13B to Arl3 and implications for ciliary targeting of lipidated proteins.
Elife, 4, 2015
8RF8
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BU of 8rf8 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data
分子名称: 6-bromanyl-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RPL
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BU of 8rpl by Molmil
AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetate--CoA ligase, MAGNESIUM ION, ...
著者Striska, K, Palm, G.J, Lammers, M.
登録日2024-01-16
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The AMP-forming acetyl-CoA-synthetase is regulated by lysine acetylation and has an intrinsic phosphotransacetylase activity to adjust its activity to the cellular acetyl-phosphate level
Nature Comm, 2024
8RT9
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BU of 8rt9 by Molmil
Stalk complex full-length structure (TrwJ/VirB5-TrwI/VirB6) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwI protein, TrwJ protein
著者Mace, K, Waksman, G.
登録日2024-01-25
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Cryo-EM structure of a conjugative type IV secretion system suggests a molecular switch regulating pilus biogenesis.
Embo J., 2024
8RNU
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BU of 8rnu by Molmil
CryoEM structure of recombinant human Bri2 BRICHOS oligomers
分子名称: Integral membrane protein 2B
著者Chen, G, Johansson, J, Hebert, H.
登録日2024-01-11
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis for different substrate-binding sites and chaperone functions of the BRICHOS domain.
Protein Sci., 33, 2024
2G04
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BU of 2g04 by Molmil
Crystal structure of fatty acid-CoA racemase from Mycobacterium tuberculosis H37Rv
分子名称: PROBABLE FATTY-ACID-CoA RACEMASE FAR
著者Lee, K.S, Park, S.M, Rhee, K.H, Bang, W.G, Hwang, K.Y, Chi, Y.M.
登録日2006-02-11
公開日2007-01-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of fatty acid-CoA racemase from Mycobacterium tuberculosis H37Rv
Proteins, 64, 2006
8RYT
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BU of 8ryt by Molmil
Structural characterization of Thogoto Virus nucleoprotein provides insights into RNA encapsidation and assembly
分子名称: Nucleoprotein
著者Roske, Y, Mikirtumov, V, Daumke, O, Kudryashev, M, Dick, A.
登録日2024-02-09
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (18 Å)
主引用文献Structural characterization of Thogoto Virus nucleoprotein provides insights into viral RNA encapsidation and RNP assembly.
Structure, 2024
2G47
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BU of 2g47 by Molmil
Crystal structure of human insulin-degrading enzyme in complex with amyloid-beta (1-40)
分子名称: 1,4-DIETHYLENE DIOXIDE, Insulin-degrading enzyme, amyloid protein beta A4
著者Shen, Y, Tang, W.-J.
登録日2006-02-21
公開日2006-10-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of human insulin-degrading enzyme reveal a new substrate recognition mechanism.
Nature, 443, 2006
8RT8
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BU of 8rt8 by Molmil
Conformation-C of the full-length outer membrane core complex (TrwH/VirB7, TrwF/VirB9, TrwE/VirB10CTD) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwE protein, TrwF protein, TrwH protein
著者Mace, K, Waksman, G.
登録日2024-01-25
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Cryo-EM structure of a conjugative type IV secretion system suggests a molecular switch regulating pilus biogenesis.
Embo J., 2024
2G1G
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BU of 2g1g by Molmil
Solution structure of the anticodon loop of S. Pombe tRNAi including the naturally occurring N6-threonyl adenine
分子名称: 5'-R(*AP*CP*GP*GP*GP*CP*UP*CP*AP*UP*(T6A)P*AP*CP*CP*CP*GP*U)-3'
著者Lescrinier, E.
登録日2006-02-14
公開日2006-06-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The naturally occurring N6-threonyl adenine in anticodon loop of Schizosaccharomyces pombe tRNAi causes formation of a unique U-turn motif
Nucleic Acids Res., 34, 2006
2G1W
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BU of 2g1w by Molmil
NMR structure of the Aquifex aeolicus tmRNA pseudoknot PK1
分子名称: 5'-R(*GP*GP*GP*GP*UP*GP*GP*CP*UP*CP*CP*CP*CP*UP*AP*AP*CP*AP*GP*CP*CP*G)-3'
著者Nonin-Lecomte, S, Dardel, F.
登録日2006-02-15
公開日2006-04-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR structure of the Aquifex aeolicus tmRNA pseudoknot PK1: new insights into the recoding event of the ribosomal trans-translation.
Nucleic Acids Res., 34, 2006
8RT7
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BU of 8rt7 by Molmil
Conformation-B of the full-length outer membrane core complex (TrwH/VirB7, TrwF/VirB9, TrwE/VirB10CTD) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwE protein, TrwF protein, TrwH
著者Mace, K, Waksman, G.
登録日2024-01-25
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cryo-EM structure of a conjugative type IV secretion system suggests a molecular switch regulating pilus biogenesis.
Embo J., 2024
5KJF
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BU of 5kjf by Molmil
V222I horse liver alcohol dehydrogenase complexed with NAD+ and trifluoroethanol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V.
登録日2016-06-18
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis.
Protein Sci., 27, 2018
2G66
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BU of 2g66 by Molmil
Crystal structure of a collagen-like peptide with 3(S)Hyp in the Xaa position
分子名称: collagen
著者Schumacher, M.A, Mizuno, K, Bachinger, H.P.
登録日2006-02-24
公開日2006-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of a Collagen-like Polypeptide with 3(S)-Hydroxyproline Residues in the Xaa Position Forms a Standard 7/2 Collagen Triple Helix
J.Biol.Chem., 281, 2006
2G29
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BU of 2g29 by Molmil
crystal structure of the periplasmic nitrate-binding protein NrtA from Synechocystis PCC 6803
分子名称: NITRATE ION, Nitrate transport protein nrtA
著者Koropatkin, N.M, Pakrasi, H.B, Smith, T.J.
登録日2006-02-15
公開日2006-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic structure of a nitrate-binding protein crucial for photosynthetic productivity
Proc.Natl.Acad.Sci.Usa, 103, 2006
5DIU
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BU of 5diu by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
著者Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F.
登録日2015-09-01
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
5DHP
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BU of 5dhp by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
8RT4
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BU of 8rt4 by Molmil
O-layer structure (TrwH/VirB7, TrwF/VirB9CTD, TrwE/VirB10CTD) of the outer membrane core complex from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwE protein, TrwF protein, TrwH protein
著者Mace, K, Waksman, G.
登録日2024-01-25
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Cryo-EM structure of a conjugative type IV secretion system suggests a molecular switch regulating pilus biogenesis.
Embo J., 2024
2YRN
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BU of 2yrn by Molmil
Solution structure of the CH domain from Human Neuron navigator 2
分子名称: Neuron navigator 2 isoform 4
著者Tomizawa, T, Tochio, N, Koshiba, S, Inoue, M, Nakamura, Y, Furukawa, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-02
公開日2008-02-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the CH domain from Human Neuron navigator 2
To be Published
2G6U
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BU of 2g6u by Molmil
Solution structures of MP-2: a high affinity miniprotein ligand to Streptavidin
分子名称: Miniprotein MP2
著者Fox, R.O, Mukherjee, M.
登録日2006-02-25
公開日2007-04-10
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Structural studies of high affinity miniprotein ligands to Streptavidin
To be Published
2YSA
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BU of 2ysa by Molmil
Solution structure of the zinc finger CCHC domain from the human retinoblastoma-binding protein 6 (Retinoblastoma-binding Q protein 1, RBQ-1)
分子名称: Retinoblastoma-binding protein 6, ZINC ION
著者Ohnishi, S, Sato, M, Tochio, N, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-03
公開日2007-10-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the zinc finger CCHC domain from the human retinoblastoma-binding protein 6 (Retinoblastoma-binding Q protein 1, RBQ-1)
To be Published

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件を2024-07-10に公開中

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