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PDB: 53012 件

6VB1
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HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6C6X
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BU of 6c6x by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque.
分子名称: JC57-14 Heavy chain, JC57-14 Light chain
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2018-01-19
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6VB7
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HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
7ZJP
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Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106
分子名称: 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1
著者Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D.
登録日2022-04-11
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
7ZJQ
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Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
分子名称: 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid, Transcriptional enhancer factor TEF-5
著者Musil, D, Sousa, C.M.
登録日2022-04-11
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
6VB6
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BU of 6vb6 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6R8Z
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BU of 6r8z by Molmil
Cryo-EM structure of NCP_THF2(-1)-UV-DDB
分子名称: DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
著者Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
登録日2019-04-02
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
8CZU
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BU of 8czu by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d
分子名称: 3C-like proteinase, [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
著者Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-05-25
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
6R94
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Cryo-EM structure of NCP_THF2(-3)
分子名称: Histone H2A type 1-B/E, Histone H2B type 1-J, Histone H3.1, ...
著者Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
登録日2019-04-02
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
5CWF
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BU of 5cwf by Molmil
Crystal structure of de novo designed helical repeat protein DHR8
分子名称: CALCIUM ION, Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
7ZGX
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BU of 7zgx by Molmil
S-layer Deinoxanthin Binding Complex, C1 symmetry
分子名称: S-layer protein SlpA
著者Farci, D, Piano, D.
登録日2022-04-04
公開日2022-07-13
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
8CZT
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BU of 8czt by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d
分子名称: 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
著者Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-05-25
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
3IV5
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BU of 3iv5 by Molmil
Crystal structure of Fis bound to 27 bp optimal binding sequence F1
分子名称: DNA (27-MER), DNA-binding protein fis
著者Stella, S, Cascio, D, Johnson, R.C.
登録日2009-08-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The shape of the DNA minor groove directs binding by the DNA-bending protein Fis.
Genes Dev., 24, 2010
6VEH
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BU of 6veh by Molmil
Computationally designed C3-symmetric homotrimer from HEAT repeat protein
分子名称: HEAT repeat domain-containing protein
著者Bick, M.J, Ueda, G, Baker, D.
登録日2020-01-02
公開日2020-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VES
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BU of 6ves by Molmil
Human insulin analog: [GluB10,HisA8,ArgA9]-DOI
分子名称: Insulin A chain, Insulin B chain
著者Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
登録日2020-01-02
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes
To Be Published
5KAH
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BU of 5kah by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant
分子名称: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
著者Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.779 Å)
主引用文献Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
6ZYI
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BU of 6zyi by Molmil
Crystal structure of HSP70 ATPase domain in complex with ADP and calcium
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70kDa protein 1A variant
著者Yan, Y, Preissler, S, Ron, D.
登録日2020-08-01
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
3IGC
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BU of 3igc by Molmil
Smallpox virus topoisomerase-DNA transition state
分子名称: 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ...
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2009-07-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Structure, 18, 2010
6ZYJ
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Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Yan, Y, Preissler, S, Ron, D.
登録日2020-08-01
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
6C99
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Crystal structure of FcRn bound to UCB-303
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ...
著者Fox III, D, Abendroth, J, Porter, J, Deboves, H.
登録日2018-01-25
公開日2018-05-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
5LVS
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BU of 5lvs by Molmil
Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries
分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ...
著者Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y.
登録日2016-09-14
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
5LXO
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BU of 5lxo by Molmil
Coiled-coil protein
分子名称: ACETATE ION, CHLORIDE ION, SULFATE ION, ...
著者Thiyagarajan, N, Bunney, T.D, Katan, M.
登録日2016-09-22
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.179 Å)
主引用文献Coiled-coil protein
To Be Published
7L0L
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BU of 7l0l by Molmil
Cryo-EM structure of the VRC316 clinical trial, vaccine-elicited, human antibody 316-310-1B11 in complex with an H2 CAN05 HA trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 316-310-1B11 Heavy Chain, 316-310-1B11 Light Chain, ...
著者Gorman, J, Kwong, P.D.
登録日2020-12-11
公開日2021-11-03
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination.
Nat Med, 28, 2022
5M1B
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BU of 5m1b by Molmil
Crystal structure of C-terminally tagged apo-UbiD from E. coli
分子名称: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase
著者White, M, Leys, D.
登録日2016-10-07
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
6G7C
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Nt2-CTD domains of the TssA component from the type VI secretion system of Aeromonas hydrophila.
分子名称: ImpA-related domain protein
著者Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-04-05
公開日2018-11-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018

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