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6WHQ
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BU of 6whq by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
5KQ4
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BU of 5kq4 by Molmil
Crystal structure of S. pombe Dcp1/Dcp2 in complex with H. sapiens PNRC2 and synthetic cap analog
分子名称: Proline-rich nuclear receptor coactivator 2, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate, mRNA decapping complex subunit 2, ...
著者Mugridge, J.S, Ziemniak, M, Jemielity, J, Gross, J.D.
登録日2016-07-05
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural basis of mRNA-cap recognition by Dcp1-Dcp2.
Nat.Struct.Mol.Biol., 23, 2016
6WI3
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BU of 6wi3 by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6ZN0
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BU of 6zn0 by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with isonicotinamidine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, ISONICOTINAMIDINE, ...
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-07-06
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6B0I
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BU of 6b0i by Molmil
Apo KLP10A in complex with a microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp10A, ...
著者Benoit, M.P.M.H, Asenjo, A.B, Sosa, H.
登録日2017-09-14
公開日2018-05-02
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Cryo-EM reveals the structural basis of microtubule depolymerization by kinesin-13s.
Nat Commun, 9, 2018
6B46
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Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1
分子名称: Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ...
著者Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
登録日2017-09-25
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6O6E
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BU of 6o6e by Molmil
Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, FORMIC ACID, ...
著者Corpuz, J.C, Podust, L.M.
登録日2019-03-06
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Dynamic visualization of type II peptidyl carrier protein recognition in pyoluteorin biosynthesis.
Rsc Chem Biol, 1, 2020
4RLA
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BU of 4rla by Molmil
ALTERING THE BINUCLEAR MANGANESE CLUSTER OF ARGINASE DIMINISHES THERMOSTABILITY AND CATALYTIC FUNCTION
分子名称: ARGINASE, MANGANESE (II) ION
著者Scolnick, L.R, Kanyo, Z.F, Christianson, D.W.
登録日1997-05-07
公開日1998-05-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Altering the binuclear manganese cluster of arginase diminishes thermostability and catalytic function.
Biochemistry, 36, 1997
4TIM
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BU of 4tim by Molmil
CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF THE COMPLEX WITH 2-PHOSPHOGLYCERATE
分子名称: 2-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Nobel, M.E.M, Wierenga, R.K, Hol, W.G.J.
登録日1991-04-11
公開日1992-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate.
J.Med.Chem., 34, 1991
6AP6
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BU of 6ap6 by Molmil
Crystal Structure of DAD2 in complex with tolfenamic acid
分子名称: 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, Probable strigolactone esterase DAD2
著者Hamiaux, C.
登録日2017-08-17
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition of strigolactone receptors byN-phenylanthranilic acid derivatives: Structural and functional insights.
J. Biol. Chem., 293, 2018
6ANY
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BU of 6any by Molmil
Structure of BmVAL-1
分子名称: Bm4233, isoform b, SULFATE ION, ...
著者Asojo, O.A.
登録日2017-08-14
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of Brugia malayi venom allergen-like protein-1 (BmVAL-1), a vaccine candidate for lymphatic filariasis.
Int. J. Parasitol., 48, 2018
5I6K
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BU of 5i6k by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 0.69 MGy
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Horrell, S, Hough, M.A, Strange, R.W.
登録日2016-02-16
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
7RS6
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BU of 7rs6 by Molmil
Cryo-EM structure of Kip3 (AMPPNP) bound to GMPCPP-Stabilized Microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Hernandez-Lopez, R.A, Leschziner, A.E, Arellano-Santoyo, H, Pellman, D, Stokasimov, E, Wang, R.Y.-R.
登録日2021-08-11
公開日2022-08-17
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Multimodal tubulin binding by the yeast kinesin-8, Kip3, underlies its motility and depolymerization
Biorxiv, 2024
7RS5
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BU of 7rs5 by Molmil
Cryo-EM structure of Kip3 (AMPPNP) bound to Taxol-Stabilized Microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Hernandez-Lopez, R.A, Leschziner, A.E, Arellano-Santoyo, H, Pellman, D, Stokasimov, E, Wang, R.Y.-R.
登録日2021-08-10
公開日2022-08-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Multimodal tubulin binding by the yeast kinesin-8, Kip3, underlies its motility and depolymerization
Biorxiv, 2021
5I6L
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BU of 5i6l by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 2.76 MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Hough, M.A, Strange, R.W.
登録日2016-02-16
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5IHS
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BU of 5ihs by Molmil
Structure of CHU_2103 from Cytophaga hutchinsonii
分子名称: Endoglucanase, glycoside hydrolase family 5 protein
著者Silvaggi, N.R, Han, L.
登録日2016-02-29
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Periplasmic Cytophaga hutchinsonii Endoglucanases Are Required for Use of Crystalline Cellulose as the Sole Source of Carbon and Energy.
Appl.Environ.Microbiol., 82, 2016
7R42
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BU of 7r42 by Molmil
Bovine complex I in the presence of IM1761092, active class ii (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R44
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Bovine complex I in the presence of IM1761092, active class iv (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4D
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BU of 7r4d by Molmil
Bovine complex I in the presence of IM1761092, deactive class vi (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R45
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BU of 7r45 by Molmil
Bovine complex I in the presence of IM1761092, deactive class i (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R41
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BU of 7r41 by Molmil
Bovine complex I in the presence of IM1761092, active class i (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R46
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BU of 7r46 by Molmil
Bovine complex I in the presence of IM1761092, deactive class ii (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R43
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BU of 7r43 by Molmil
Bovine complex I in the presence of IM1761092, active class iii (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023

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