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6FP3
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BU of 6fp3 by Molmil
The crystal structure of EncM complexed with dioxygen under 5 bar of oxygen pressure.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, Putative FAD-dependent oxygenase EncM
著者Saleem-Batcha, R, Teufel, R.
登録日2018-02-09
公開日2018-05-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.976 Å)
主引用文献Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5K61
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BU of 5k61 by Molmil
Crystal structure of N-terminal amidase with Gln-Gly peptide
分子名称: GLUTAMINE, Nta1p
著者Kim, M.K, Oh, S.-J, Lee, B.-G, Song, H.K.
登録日2016-05-24
公開日2017-04-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural basis for dual specificity of yeast N-terminal amidase in the N-end rule pathway.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6GBP
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BU of 6gbp by Molmil
Crystal Structure of the oligomerization domain of VP35 from Ebola virus, mercury derivative
分子名称: MERCURY (II) ION, Polymerase cofactor VP35
著者Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A.
登録日2018-04-16
公開日2018-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species.
Structure, 27, 2019
6DB5
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BU of 6db5 by Molmil
Crystal structure of anti-HIV-1 V3 Fab TA6 in complex with a HIV-1 gp120 V3 peptide from NY5 strain
分子名称: HIV-1 gp120 V3 peptide from NY5 strain, Human monoclonal anti-HIV-1 gp120 V3 antibody TA6 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody TA6 Fab light chain
著者Chan, K.-W, Kong, X.-P.
登録日2018-05-02
公開日2018-07-11
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
8V4S
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BU of 8v4s by Molmil
Cryo-EM structure of the rat P2X7 receptor in the apo closed state purified in the absence of sodium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, P2X purinoceptor 7, ...
著者Oken, A.C, Lisi, N.E, Krishnamurthy, I, McCarthy, A.E, Godsey, M.H, Glasfeld, A, Mansoor, S.E.
登録日2023-11-29
公開日2024-08-14
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献High-affinity agonism at the P2X 7 receptor is mediated by three residues outside the orthosteric pocket.
Nat Commun, 15, 2024
2NNU
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BU of 2nnu by Molmil
Crystal Structure of the Papillomavirus DNA Tethering Complex E2:Brd4
分子名称: Bromodomain-containing protein 4, Regulatory protein E2
著者Abbate, E.A, Voitenleitner, C, Botchan, M.R.
登録日2006-10-24
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure of the Papillomavirus DNA-Tethering Complex E2:Brd4 and a Peptide that Ablates HPV Chromosomal Association.
Mol.Cell, 24, 2006
6H4Z
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BU of 6h4z by Molmil
Crystal structure of human KDM5B in complex with compound 16a
分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H5S
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BU of 6h5s by Molmil
Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers.
分子名称: Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3')
著者Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M.
登録日2018-07-25
公開日2019-06-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GIX
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BU of 6gix by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-b
分子名称: CHLOROPHYLL B, Water-soluble chlorophyll protein
著者Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H.
登録日2018-05-15
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein.
Nat Plants, 4, 2018
5K26
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BU of 5k26 by Molmil
Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase 11,Chimera protein of MLK3-SH3 and MIP
著者Kall, S.K, Lavie, A.
登録日2016-05-18
公開日2017-12-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3.
J. Biol. Chem., 293, 2018
6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
5K5V
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BU of 5k5v by Molmil
Crystal structure of N-terminal amidase C187S
分子名称: Nta1p
著者Kim, M.K, Oh, S.-J, Lee, B.-G, Song, H.K.
登録日2016-05-24
公開日2017-04-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Structural basis for dual specificity of yeast N-terminal amidase in the N-end rule pathway.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6GLC
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BU of 6glc by Molmil
Structure of phospho-Parkin bound to phospho-ubiquitin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
著者Gladkova, C, Maslen, S.L, Skehel, J.M, Komander, D.
登録日2018-05-23
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of parkin activation by PINK1.
Nature, 559, 2018
5K6D
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BU of 5k6d by Molmil
Structure of FS50 an antagonist of NaV1.5
分子名称: Putative secreted salivary protein
著者Andersen, J.F, Xu, X.
登録日2016-05-24
公開日2016-11-23
実験手法X-RAY DIFFRACTION (1.139 Å)
主引用文献Structure and Function of FS50, a salivary protein from the flea Xenopsylla cheopis that blocks the sodium channel NaV1.5.
Sci Rep, 6, 2016
8B9N
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BU of 8b9n by Molmil
Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site
分子名称: Endonuclease 8-like 3, ZINC ION, ssDNA with abasic site
著者Klima, M, Boura, E, Silhan, J.
登録日2022-10-06
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site
To Be Published
8BFW
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BU of 8bfw by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2
著者Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
登録日2022-10-27
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
6DJD
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BU of 6djd by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak)
分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 2019
8B8O
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BU of 8b8o by Molmil
Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
分子名称: 1,2-ETHANEDIOL, Protein E6, Protein scribble homolog
著者Stewart, B.Z, Kvansakul, M.
登録日2022-10-04
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
To Be Published
5JDT
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BU of 5jdt by Molmil
Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
分子名称: AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T.
登録日2016-04-17
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
6O8R
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BU of 6o8r by Molmil
Syn-safencin 24
分子名称: Circular bacteriocin, circularin A/uberolysin family
著者Fields, F.R, Lee, S.W.
登録日2019-03-11
公開日2020-05-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
2NLJ
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BU of 2nlj by Molmil
Potassium Channel KcsA(M96V)-Fab complex in KCl
分子名称: DIACYL GLYCEROL, POTASSIUM ION, Voltage-gated potassium channel, ...
著者Lockless, S.W, Zhou, M, MacKinnon, R.
登録日2006-10-20
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural and Thermodynamic Properties of Selective Ion Binding in a K(+) Channel.
Plos Biol., 5, 2007
6OSW
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BU of 6osw by Molmil
An order-to-disorder structural switch activates the FoxM1 transcription factor
分子名称: Forkhead box M1
著者Marceau, A.H, Rubin, S.M, Nerli, S, McShane, A.C, Sgourakis, N.G.
登録日2019-05-02
公開日2019-05-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An order-to-disorder structural switch activates the FoxM1 transcription factor.
Elife, 8, 2019
5J1F
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BU of 5j1f by Molmil
Structure of the spectrin repeats 5 and 6 of the plakin domain of plectin
分子名称: Plectin,Plectin
著者Ortega, E, DE PEREDA, J.M.
登録日2016-03-29
公開日2016-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
6O8J
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BU of 6o8j by Molmil
Syn-safencin
分子名称: Circular bacteriocin, circularin A/uberolysin family
著者Fields, F.R, Lee, S.W.
登録日2019-03-11
公開日2020-04-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8P
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BU of 6o8p by Molmil
Syn-safencin 8
分子名称: Circular bacteriocin, circularin A/uberolysin family
著者Fields, F.R, Lee, S.W.
登録日2019-03-11
公開日2020-05-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020

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