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PDB: 88675 件

6E6E
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DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
分子名称: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Gurbani, D, Bera, A, Westover, K.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5LL4
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BU of 5ll4 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide
分子名称: 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2016-07-26
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
7NM8
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BU of 7nm8 by Molmil
The crystal structure of the antimycin pathway standalone ketoreductase, AntM, in complex with NADPH
分子名称: Antimycin pathway standalone ketoreductase, AntM, GLYCEROL, ...
著者Fazal, A, Hemsworth, G.R, Webb, M.E, Seipke, R.F.
登録日2021-02-23
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Standalone beta-Ketoreductase Acts Concomitantly with Biosynthesis of the Antimycin Scaffold.
Acs Chem.Biol., 16, 2021
4XK0
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Crystal structure of a tetramolecular RNA G-quadruplex in potassium
分子名称: BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3')
著者Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S.
登録日2015-01-09
公開日2015-02-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
Nucleic Acids Res., 43, 2015
5LQA
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BU of 5lqa by Molmil
rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
著者Ehler, A, Ellermann, M, Rudolph, M.G.
登録日2016-08-16
公開日2016-10-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
To be published
7PY2
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BU of 7py2 by Molmil
Structure of pathological TDP-43 filaments from ALS with FTLD
分子名称: TAR DNA-binding protein 43
著者Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B.
登録日2021-10-08
公開日2021-12-15
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structure of pathological TDP-43 filaments from ALS with FTLD.
Nature, 601, 2022
7SBB
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BU of 7sbb by Molmil
Structure of type I-D Cascade bound to a ssRNA target
分子名称: Cas10d, Cas11d, Cas5d, ...
著者Schwartz, E.A, Taylor, D.W.
登録日2021-09-24
公開日2022-06-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural rearrangements allow nucleic acid discrimination by type I-D Cascade.
Nat Commun, 13, 2022
8G4P
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BU of 8g4p by Molmil
Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 13T1 and 13T5
分子名称: 1,2-ETHANEDIOL, 13T1 Fab light chain, 13T5 Fab heavy chain, ...
著者Pedersen, L.C, Mueller, G.A, Min, J.
登録日2023-02-10
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design of an Ara h 2 hypoallergen from conformational epitopes.
Clin Exp Allergy, 54, 2024
6REL
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BU of 6rel by Molmil
Crystal structure of Pizza6-SH with CdCl2 nanocrystal
分子名称: CADMIUM ION, CHLORIDE ION, Pizza6-SH
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Artificial beta-Propeller Protein-based Hydrolases
To Be Published
8T84
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BU of 8t84 by Molmil
Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol
分子名称: 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40
著者Sawaya, M.R, Raskatov, J.A, Hazari, A.
登録日2023-06-21
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
7NM7
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BU of 7nm7 by Molmil
The crystal structure of the antimycin pathway standalone ketoreductase, AntM
分子名称: Antimycin pathway standalone ketoreductase enzyme, AntM
著者Fazal, A, Hemsworth, G.R, Webb, M.E, Seipke, R.F.
登録日2021-02-23
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Standalone beta-Ketoreductase Acts Concomitantly with Biosynthesis of the Antimycin Scaffold.
Acs Chem.Biol., 16, 2021
6ULW
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BU of 6ulw by Molmil
Adenylation, ketoreductase, and pseudo Asub multidomain structure of a keto acid-selecting NRPS module
分子名称: Amino acid adenylation domain-containing protein, CALCIUM ION, MAGNESIUM ION
著者Alonzo, D.A, Wang, J, Chiche-Lapierre, C, Schmeing, T.M.
登録日2019-10-08
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
6OUF
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BU of 6ouf by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-707A
分子名称: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.358 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
5LPO
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BU of 5lpo by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
分子名称: 1,2-ETHANEDIOL, 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, GLYCEROL, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-08-14
公開日2017-08-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer
To be published
4XDG
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BU of 4xdg by Molmil
Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule
分子名称: (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A.
登録日2014-12-19
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
6EBL
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BU of 6ebl by Molmil
The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, cytosolic domain
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, Voltage-gated potassium channel subunit beta-2
著者Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J.
登録日2018-08-06
公開日2018-08-22
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
8E7D
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BU of 8e7d by Molmil
Cryo-EM structure of wild-type transthyretin amyloid from heart tissue
分子名称: Transthyretin
著者Nguyen, B.A, Saelices, L.
登録日2022-08-23
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
To Be Published
5IIZ
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BU of 5iiz by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure F0
分子名称: Bacterioferritin comigratory protein, SODIUM ION
著者Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
登録日2016-03-01
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
7RX0
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BU of 7rx0 by Molmil
Complex of AMPPNP-Kif7 and Gli2 Zinc-Finger domain bound to microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, MAGNESIUM ION, ...
著者Mani, N, Wilson-Kubalek, E.M, Haque, F, Freniere, C, Milligan, R.A, Subramanian, R.
登録日2021-08-20
公開日2022-06-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Cytoskeletal regulation of a transcription factor by DNA mimicry via coiled-coil interactions.
Nat.Cell Biol., 24, 2022
6ECU
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BU of 6ecu by Molmil
SeMet substituted StiD O-MT residues 976-1266
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
著者Skiba, M.A, Bivins, M.M, Smith, J.L.
登録日2018-08-08
公開日2018-12-12
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
5LRA
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BU of 5lra by Molmil
Plastidial phosphorylase PhoI from barley in complex with maltotetraose
分子名称: Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M.
登録日2016-08-18
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
8EDD
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BU of 8edd by Molmil
Staphylococcus aureus endonuclease IV Y33F mutant
分子名称: CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ...
著者Saper, M.A, Kirillov, S, Isupov, M.N, Wiener, R, Rouvinski, A.
登録日2022-09-04
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
5M1O
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BU of 5m1o by Molmil
Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Cobalt
分子名称: COBALT (II) ION, Phage terminase large subunit
著者Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A.
登録日2016-10-09
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
6XZE
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BU of 6xze by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-04
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020

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