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PDB: 51689 件

5UCI
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Hsp90b N-terminal domain with inhibitors
分子名称: (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
6T18
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ASR Alternansucrase in complex with oligoalternan
分子名称: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
登録日2019-10-03
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
7JQM
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-002, mRNA, and deacylated P-site tRNA at 3.05A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M.
登録日2020-08-11
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens.
J.Med.Chem., 63, 2020
1KSJ
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Complex of Arl2 and PDE delta, Crystal Form 2 (SeMet)
分子名称: BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C.
登録日2002-01-13
公開日2002-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The complex of Arl2-GTP and PDE delta: from structure to function
EMBO J., 21, 2002
1YNT
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BU of 1ynt by Molmil
Structure of the monomeric form of T. gondii SAG1 surface antigen bound to a human Fab
分子名称: 4F11E12 Fab variable heavy chain region, 4F11E12 Fab variable light chain region, CADMIUM ION, ...
著者Graille, M, Stura, E.A, Bossus, M, Muller, B.H, Letourneur, O, Battail-Poirot, N, Sibai, G, Rolland, D, Le Du, M.H, Ducancel, F.
登録日2005-01-25
公開日2005-12-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the complex between the monomeric form of Toxoplasma gondii surface antigen 1 (SAG1) and a monoclonal antibody that mimics the human immune response
J.Mol.Biol., 354, 2005
5UCH
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BU of 5uch by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
6STR
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BU of 6str by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STQ
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BU of 6stq by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STN
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BU of 6stn by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STM
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BU of 6stm by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL)
分子名称: Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STP
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BU of 6stp by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid
分子名称: Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STO
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BU of 6sto by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ...
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
5CCJ
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BU of 5ccj by Molmil
Crystal structure of the quintuple mutant of the synaptotagmin-1 C2B domain
分子名称: GLYCEROL, SULFATE ION, Synaptotagmin-1
著者Zhou, Q, Zhao, M, Brunger, A.T.
登録日2015-07-02
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis.
Nature, 525, 2015
6ST5
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BU of 6st5 by Molmil
crystal structure of LicM2
分子名称: GLYCEROL, LicM2, MAGNESIUM ION, ...
著者Gonsior, M, Mainz, A, Hugelland, M, Kuthning, A, Tietzmann, M, Dobbek, H, Martins, B.M, Sussmuth, R.
登録日2019-09-10
公開日2022-08-10
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献crystal structure of LicM2
To Be Published
7OMX
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BU of 7omx by Molmil
Thermus sp. 2.9 DarT in complex with carba-NAD+
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
6SZF
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BU of 6szf by Molmil
Solution structure of the amyloid beta-peptide (1-42)
分子名称: Amyloid-beta precursor protein
著者Grimaldi, M, Santoro, A, Stillitano, I, Buonocore, M, D'Ursi, A.M.
登録日2019-10-02
公開日2020-10-14
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Exploring the Early Stages of the Amyloid A beta (1-42) Peptide Aggregation Process: An NMR Study.
Pharmaceuticals, 14, 2021
7OMV
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BU of 7omv by Molmil
Thermus sp. 2.9 DarT
分子名称: CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
7ON0
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BU of 7on0 by Molmil
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA
分子名称: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
6PD7
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BU of 6pd7 by Molmil
Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7
分子名称: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-18
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
7OMW
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BU of 7omw by Molmil
Thermus sp. 2.9 DarT in complex with NAD+
分子名称: DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
6FGP
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BU of 6fgp by Molmil
NMR solution structure of monomeric CCL5 in complex with a doubly-sulfated N-terminal segment of CCR5
分子名称: C-C chemokine receptor type 5, C-C motif chemokine 5
著者Anglister, J, Abayev, M.
登録日2018-01-11
公開日2018-04-18
最終更新日2022-03-30
実験手法SOLUTION NMR
主引用文献The solution structure of monomeric CCL5 in complex with a doubly sulfated N-terminal segment of CCR5.
FEBS J., 285, 2018
8DA2
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BU of 8da2 by Molmil
Acinetobacter baumannii L,D-transpeptidase
分子名称: L,D-transpeptidase family protein
著者Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B.
登録日2022-06-12
公開日2022-09-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture.
Acs Infect Dis., 8, 2022
1RQM
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BU of 1rqm by Molmil
SOLUTION STRUCTURE OF THE K18G/R82E ALICYCLOBACILLUS ACIDOCALDARIUS THIOREDOXIN MUTANT
分子名称: Thioredoxin
著者Leone, M, Di Lello, P, Ohlenschlager, O, Pedone, E.M, Bartolucci, S, Rossi, M, Di Blasio, B, Pedone, C, Saviano, M, Isernia, C, Fattorusso, R.
登録日2003-12-05
公開日2004-06-22
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Solution Structure and Backbone Dynamics of the K18G/R82E Alicyclobacillus acidocaldarius Thioredoxin Mutant: A Molecular Analysis of Its Reduced Thermal Stability.
Biochemistry, 43, 2004
7OMY
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BU of 7omy by Molmil
Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ...
著者Schuller, M, Ariza, A.
登録日2021-05-24
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021

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件を2024-09-04に公開中

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