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PDB: 53012 件

5IMP
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BU of 5imp by Molmil
Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
6O9P
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Wild-type SaSQS1 Complexed with Ibandronate
分子名称: 1,2-ETHANEDIOL, IBANDRONATE, MAGNESIUM ION, ...
著者Blank, P.N, Christianson, D.W.
登録日2019-03-14
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product.
Acs Chem.Biol., 14, 2019
6O9Q
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BU of 6o9q by Molmil
Wild-type SaSQS1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Sesquisabinene B synthase 1
著者Blank, P.N, Christianson, D.W.
登録日2019-03-14
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product.
Acs Chem.Biol., 14, 2019
6QGB
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BU of 6qgb by Molmil
Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ...
著者Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
登録日2019-01-10
公開日2019-04-03
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
5INZ
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BU of 5inz by Molmil
Racemic structure of baboon theta defensin-2
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ...
著者Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J.
登録日2016-03-08
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
6TZN
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BU of 6tzn by Molmil
Structure of S. pombe telomerase accessory protein Pof8 C-terminal domain
分子名称: NITRATE ION, Protein pof8
著者Basu, R.S, Cascio, D, Eichhorn, C.D, Feigon, J.
登録日2019-08-12
公開日2020-08-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of S. pombe telomerase protein Pof8 C-terminal domain is an xRRM conserved among LARP7 proteins.
Rna Biol., 18, 2021
6OA6
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BU of 6oa6 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4
分子名称: Alpha-actinin-4, GLYCEROL
著者Birrane, G, Feng, D.
登録日2019-03-15
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Phosphorylation of ACTN4 Leads to Podocyte Vulnerability and Proteinuric Glomerulosclerosis.
J. Am. Soc. Nephrol., 31, 2020
8DMO
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BU of 8dmo by Molmil
Structure of open, inward-facing MsbA from E. coli
分子名称: ATP-binding transport protein MsbA
著者Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M.
登録日2022-07-08
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
5AK9
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BU of 5ak9 by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MN
分子名称: 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3, ...
著者Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
登録日2015-03-02
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
5KKY
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BU of 5kky by Molmil
Structure of Streptococcus pneumonia NanA bound with inhibitor 9N3Neu5Ac2en
分子名称: 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid, CHLORIDE ION, Sialidase A
著者Shi, D, Zhao, G.
登録日2016-06-23
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Synthesis of selective inhibitors against S. pneumoniae and V. cholerae sialidases
To Be Published
5KLG
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BU of 5klg by Molmil
Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
著者Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A.
登録日2016-06-24
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
6OBA
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BU of 6oba by Molmil
The beta2 adrenergic receptor bound to a negative allosteric modulator
分子名称: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ...
著者Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K.
登録日2019-03-20
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
6U1S
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BU of 6u1s by Molmil
Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R.
分子名称: de novo designed 16-helix transmembrane nanopore, TMHC8_R
著者Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J.
登録日2019-08-16
公開日2020-08-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Computational Design of Transmembrane Channels
To Be Published
8RH1
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BU of 8rh1 by Molmil
Trimeric HSV-2F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules.
分子名称: Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain
著者Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M.
登録日2023-12-14
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
8RH0
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BU of 8rh0 by Molmil
Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules.
分子名称: Envelope glycoprotein B, HDIT102 Fab heavy chain
著者Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M.
登録日2023-12-14
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
著者Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-04-19
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
5KOP
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BU of 5kop by Molmil
Arabidopsis thaliana fucosyltransferase 1 (FUT1) in its apo-form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Galactoside 2-alpha-L-fucosyltransferase
著者Rocha, J, de Sanctis, D, Breton, C.
登録日2016-07-01
公開日2016-10-12
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation.
Plant Cell, 28, 2016
6U4P
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BU of 6u4p by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
分子名称: Alpha-hemolysin, SULFATE ION, fos-choline-14
著者Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
登録日2019-08-26
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
6U6Z
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BU of 6u6z by Molmil
Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide
分子名称: DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
著者Taylor, A.B, Yu, C.H, Ivanov, D.N.
登録日2019-08-30
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
8WT5
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BU of 8wt5 by Molmil
Vaccinia Virus J5 ectodomain
分子名称: Protein J5
著者Carillo, K.J, Tzou, D.L.
登録日2023-10-18
公開日2023-11-22
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Vaccinia Virus Protein J5 (2 - 68 a.a)
To Be Published
6QFS
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BU of 6qfs by Molmil
Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ...
著者Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R.
登録日2019-01-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
6LTO
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BU of 6lto by Molmil
cryo-EM structure of full length human Pannexin1
分子名称: Pannexin-1
著者Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D.
登録日2020-01-23
公開日2020-05-13
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for gating mechanism of Pannexin 1 channel.
Cell Res., 30, 2020
6M7K
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BU of 6m7k by Molmil
Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG)
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C13, cyclic AMP-AMP-GMP
著者Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-08-20
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
6OGH
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BU of 6ogh by Molmil
Structure of Aedes aegypti OBP22 in the complex with linoleic acid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ...
著者Jones, D.N, Wang, J.
登録日2019-04-02
公開日2019-04-24
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
8BSC
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BU of 8bsc by Molmil
CryoEM structure of the RAD51 nucleoprotein filament in the presence of ADP and Ca2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, DNA repair protein RAD51 homolog 1
著者Appleby, R, Bollschweiler, D, Pellegrini, L.
登録日2022-11-24
公開日2023-05-03
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023

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件を2024-07-31に公開中

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