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8PDE
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BU of 8pde by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-06-12
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
7ND2
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BU of 7nd2 by Molmil
Cryo-EM structure of the human FERRY complex
分子名称: Glutamine amidotransferase-like class 1 domain-containing protein 1, Protein phosphatase 1 regulatory subunit 21, Quinone oxidoreductase-like protein 1
著者Quentin, D, Klink, B.U, Raunser, S.
登録日2021-01-29
公開日2022-03-02
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of mRNA binding by the human FERRY Rab5 effector complex.
Mol.Cell, 83, 2023
7EK8
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BU of 7ek8 by Molmil
Crystal structure of apo streptavidin at ambient temperature
分子名称: Streptavidin
著者DeMirci, H, Ertem, F.B, Destan, E, Ayan, E.
登録日2021-04-04
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of apo streptavidin at ambient temperature
To Be Published
6OL2
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BU of 6ol2 by Molmil
Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening
分子名称: ACETATE ION, GLYCEROL, N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide, ...
著者Chlebowicz, J, Akella, R, Sekulski, K, Humphreys, J.M, Durbacz, M.Z, He, H, Rodan, A, Posner, B, Goldsmith, E.J.
登録日2019-04-15
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallography of novel WNK1 and WNK3 inhibitors discovered from high throughput screening
To Be Published
6LSE
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BU of 6lse by Molmil
Crystal structure of the enterovirus 71 polymerase elongation complex (C3S6A/C3S6B form)
分子名称: Genome polyprotein, PYROPHOSPHATE 2-, RNA (35-MER), ...
著者Wang, M, Shu, B, Jing, X, Gong, P.
登録日2020-01-17
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Stringent control of the RNA-dependent RNA polymerase translocation revealed by multiple intermediate structures.
Nat Commun, 11, 2020
7N9S
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BU of 7n9s by Molmil
TcdB and frizzled-2 CRD complex
分子名称: Frizzled-2, Toxin B
著者Jiang, M, Zhang, J.
登録日2021-06-18
公開日2022-03-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Structural Basis for Receptor Recognition of Clostridium difficile Toxin B and its Dissociation upon Acidification
To Be Published
6EG7
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BU of 6eg7 by Molmil
BbvCI B2 dimer with I3C clusters
分子名称: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, BbvCI endonuclease subunit 2, ...
著者Shen, B.W, Stoddard, B.L.
登録日2018-08-19
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
6UC3
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BU of 6uc3 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
分子名称: BIOTIN, Streptavidin
著者Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
登録日2019-09-13
公開日2020-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
7N9Y
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BU of 7n9y by Molmil
Full-length TcdB and CSPG4 (401-560) complex
分子名称: Chondroitin sulfate proteoglycan 4, Toxin B
著者Jiang, M, Zhang, J.
登録日2021-06-18
公開日2022-03-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural Basis for Receptor Recognition of Clostridium difficile Toxin B and its Dissociation upon Acidification
To Be Published
5I08
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BU of 5i08 by Molmil
Prefusion structure of a human coronavirus spike protein
分子名称: Spike glycoprotein,Foldon chimera
著者Kirchdoerfer, R.N, Cottrell, C.A, Wang, N, Pallesen, J, Yassine, H.M, Turner, H.L, Corbett, K.S, Graham, B.S, McLellan, J.S, Ward, A.B.
登録日2016-02-03
公開日2016-03-02
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Pre-fusion structure of a human coronavirus spike protein.
Nature, 531, 2016
8SH2
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BU of 8sh2 by Molmil
KLHDC2 in complex with EloB and EloC
分子名称: Elongin-B, Elongin-C, Kelch domain-containing protein 2
著者Digianantonio, K.M, Bekes, M.
登録日2023-04-13
公開日2024-01-03
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules.
Nat.Struct.Mol.Biol., 31, 2024
8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
分子名称: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
7N95
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BU of 7n95 by Molmil
state 1 of TcdB and FZD2 at pH5
分子名称: Frizzled-2, Toxin B
著者Jiang, M, Zhang, J.
登録日2021-06-16
公開日2022-03-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural Basis for Receptor Recognition of Clostridium difficile Toxin B and its Dissociation upon Acidification
To Be Published
5DQK
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BU of 5dqk by Molmil
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-WT ribozyme in Mg2+
分子名称: MAGNESIUM ION, POTASSIUM ION, RNA (48-MER), ...
著者Mir, A, Chen, J, Neau, D, Golden, B.L.
登録日2015-09-14
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
7N36
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BU of 7n36 by Molmil
Crystal structure of wild-type human gamma(S)-crystallin
分子名称: Gamma-crystallin S
著者Norton-Baker, B, Mehrabi, P, Martin, R.W.
登録日2021-05-31
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7AO4
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BU of 7ao4 by Molmil
Crystal structure of CotB2 variant W288G
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclooctat-9-en-7-ol synthase
著者Dimos, N, Driller, R, Loll, B.
登録日2020-10-13
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
7NAK
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BU of 7nak by Molmil
Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD)
分子名称: NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T.
登録日2021-06-21
公開日2022-03-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
6U8B
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BU of 6u8b by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.261 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
7N39
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BU of 7n39 by Molmil
Crystal structure of 7-site deamidated variant of human gamma(S)-crystallin
分子名称: Gamma-crystallin S, SULFATE ION
著者Norton-Baker, B, Mehrabi, P, Martin, R.W.
登録日2021-05-31
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
6EJZ
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BU of 6ejz by Molmil
Tryptophan Repressor TrpR from E.coli variant S88Y with Indole-3-acetic acid as ligand
分子名称: 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, SULFATE ION, ...
著者Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B.
登録日2017-09-24
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A biosensor for the direct visualization of auxin
Nature, 2021
7N3B
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BU of 7n3b by Molmil
Crystal structure of aged 9-site deamidated variant of human gamma(S)-crystallin
分子名称: Gamma-crystallin S
著者Norton-Baker, B, Mehrabi, P, Martin, R.W.
登録日2021-05-31
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
5IA1
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BU of 5ia1 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with MLN8054
分子名称: 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
5L44
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BU of 5l44 by Molmil
Structure of K-26-DCP in complex with the K-26 tripeptide
分子名称: K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID, ...
著者Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O.
登録日2016-05-24
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
FEBS J., 283, 2016
7NAL
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BU of 7nal by Molmil
Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains)
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1
著者Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T.
登録日2021-06-21
公開日2022-03-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
8SWK
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BU of 8swk by Molmil
Cryo-EM structure of NLRP3 closed hexamer
分子名称: 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ...
著者Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
登録日2023-05-18
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024

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件を2024-08-21に公開中

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