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PDB: 45697 件

4XVT
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Crystal structure of HIV-1 93TH057 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) Light chain, ENVELOPE GLYCOPROTEIN GP120 OF HIV-1 CLADE A/E, ...
著者Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2015-01-28
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
4RCR
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BU of 4rcr by Molmil
STRUCTURE OF THE REACTION CENTER FROM RHODOBACTER SPHAEROIDES R-26 AND 2.4.1: PROTEIN-COFACTOR (BACTERIOCHLOROPHYLL, BACTERIOPHEOPHYTIN, AND CAROTENOID) INTERACTIONS
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Komiya, H, Yeates, T.O, Chirino, A.J, Rees, D.C, Allen, J.P, Feher, G.
登録日1991-09-09
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: protein-cofactor (bacteriochlorophyll, bacteriopheophytin, and carotenoid) interactions.
Proc.Natl.Acad.Sci.USA, 85, 1988
5LVJ
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Hen Egg White Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Kurpiewska, K, Halajko, P, Lewinski, K.
登録日2016-09-14
公開日2016-09-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
1OCI
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BU of 1oci by Molmil
[3.2.0]bcANA:DNA
分子名称: 5'-D(*CP*TP*GP*A TLBP*AP*TP*GP*CP)-3', 5'-D(*GP*CP*AP*TP*AP*TP*CP*AP*GP)-3'
著者Tommerholt, H.V, Christensen, N.K, Nielsen, P, Wengel, J, Stein, P.C, Jacobsen, J.P, Petersen, M.
登録日2003-02-07
公開日2003-07-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of a DsDNA Containing a Bicyclic D-Arabino-Configured Nucleotide Fixed in an O4'-Endo Sugar Conformation
Org.Biomol.Chem., 1, 2003
5ID7
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BU of 5id7 by Molmil
Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, DI(HYDROXYETHYL)ETHER, Serum albumin, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
7ZY3
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BU of 7zy3 by Molmil
Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation
分子名称: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
著者Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F.
登録日2022-05-23
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
5IDP
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CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone
分子名称: (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
登録日2016-02-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
8IBY
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BU of 8iby by Molmil
Structure of R2 with 5'ORF
分子名称: 5'ORF RNA, Reverse transcriptase-like protein, ZINC ION
著者Deng, P, Tan, S, Wang, J, Liu, J.J.
登録日2023-02-10
公開日2023-09-20
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
1K54
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BU of 1k54 by Molmil
OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid
分子名称: (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ...
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
3ZQT
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BU of 3zqt by Molmil
TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
分子名称: 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, ANDROGEN RECEPTOR, SULFATE ION, ...
著者Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A.
登録日2011-06-10
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
3ZRK
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BU of 3zrk by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
分子名称: 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
登録日2011-06-16
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6ZMZ
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BU of 6zmz by Molmil
UDPG-bound Trehalose transferase from Thermoproteus uzoniensis
分子名称: DI(HYDROXYETHYL)ETHER, Trehalose phosphorylase/synthase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
登録日2020-07-05
公開日2020-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
6ZN1
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BU of 6zn1 by Molmil
Trehalose transferase bound to alpha-D-glucopyranosyl-beta-galactopyranose from Thermoproteus uzoniensis
分子名称: DI(HYDROXYETHYL)ETHER, THIOCYANATE ION, Trehalose phosphorylase/synthase, ...
著者Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
登録日2020-07-06
公開日2021-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
ACS Catal, 10, 2020
3ZRL
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BU of 3zrl by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
分子名称: 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
登録日2011-06-17
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6C7T
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BU of 6c7t by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 20 round 5
分子名称: Kemp Eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2018-01-23
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
1XZU
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BU of 1xzu by Molmil
T-to-THigh Quaternary Transitions in Human Hemoglobin: alphaD94G deoxy low-salt
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-12
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
2VIJ
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BU of 2vij by Molmil
Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
著者Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-04
公開日2008-01-29
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
6CAI
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BU of 6cai by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2018-01-30
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6ZMB
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BU of 6zmb by Molmil
Structure of the native tRNA-Monooxygenase enzyme MiaE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Carpentier, P, Atta, M.
登録日2020-07-02
公開日2020-09-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020
3JD1
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BU of 3jd1 by Molmil
Glutamate dehydrogenase in complex with NADH, closed conformation
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial
著者Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
登録日2016-03-28
公開日2016-04-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
8V4Y
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BU of 8v4y by Molmil
Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ...
著者Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
登録日2023-11-29
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
7UMJ
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BU of 7umj by Molmil
Crystal structure of recombinant Solieria filiformis lectin (rSfL)
分子名称: Lectin SfL-1, SULFATE ION
著者Chaves, R.P, Bezerra, E.H.S, da Silva, F.M.S, Carneiro, R.F, Sampaio, A.H, Rocha, B.A.M, Nagano, C.S.
登録日2022-04-07
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural study and antimicrobial and wound healing effects of lectin from Solieria filiformis (Kutzing) P.W.Gabrielson.
Biochimie, 214, 2023
6UDB
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BU of 6udb by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
分子名称: DI(HYDROXYETHYL)ETHER, Streptavidin
著者Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
登録日2019-09-19
公開日2020-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 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
3ZPK
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Atomic-resolution structure of a quadruplet cross-beta amyloid fibril.
分子名称: TRANSTHYRETIN
著者Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M.
登録日2013-02-28
公開日2013-12-04
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY, SOLID-STATE NMR
主引用文献Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril.
Proc.Natl.Acad.Sci.USA, 110, 2013
6ZMC
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BU of 6zmc by Molmil
Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 2000 bar using the high pressure freezing method
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGON, CALCIUM ION, ...
著者Carpentier, P, Atta, M.
登録日2020-07-02
公開日2020-09-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020

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