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PDB: 45697 results

8DPY
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Synthetic Beta Sheet Macrocycle Stabilized by Hydrogen Bond Surrogates
Descriptor: beta sheet-forming peptide with flexible linker
Authors:Lu, B, Vecchioni, S, Nazzaro, A, Arora, P.S.
Deposit date:2022-07-18
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Macrocyclic beta-Sheets Stabilized by Hydrogen Bond Surrogates.
Angew.Chem.Int.Ed.Engl., 62, 2023
5DHY
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BU of 5dhy by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
Descriptor: Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ...
Authors:DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
Deposit date:2015-08-31
Release date:2016-06-22
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
6DK3
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BU of 6dk3 by Molmil
HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
Descriptor: Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION
Authors:Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2018-05-28
Release date:2018-06-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
to be published
6KVL
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BU of 6kvl by Molmil
Crystal structure of UDP-RebB-SrUGT76G1
Descriptor: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
Deposit date:2019-09-04
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
6KO2
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BU of 6ko2 by Molmil
Crystal Structure of BRD4-Brmo2 in complex with H2A.ZK4acK7ac peptide
Descriptor: Bromodomain-containing protein 4, histone H2A.Z peptide
Authors:Li, H.T, Zheng, S.P.
Deposit date:2019-08-07
Release date:2020-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of BRD4-Bromo2 in complex with H2A.ZK4acK7ac peptide
To be published
6KR2
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BU of 6kr2 by Molmil
Crystal structure of Dengue virus nonstructural protein NS5 (form 1)
Descriptor: Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Wu, J, Lu, G, Ye, H.Q, Gong, P.
Deposit date:2019-08-20
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A conformation-based intra-molecular initiation factor identified in the flavivirus RNA-dependent RNA polymerase.
Plos Pathog., 16, 2020
8EEU
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BU of 8eeu by Molmil
Venezuelan equine encephalitis virus-like particle in complex with Fab SKT05
Descriptor: Coat protein, Fab SKT05 heavy chain, Fab SKT05 light chain
Authors:Tsybovsky, Y, Pletnev, S, Verardi, R, Roederer, M, Kwong, P.D.
Deposit date:2022-09-07
Release date:2023-07-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8EEV
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BU of 8eev by Molmil
Venezuelan equine encephalitis virus-like particle in complex with Fab SKT-20
Descriptor: Coat protein, Fab SKT20 heavy chain, Fab SKT20 light chain
Authors:Tsybovsky, Y, Pletnev, S, Verardi, R, Roederer, M, Kwong, P.D.
Deposit date:2022-09-07
Release date:2023-07-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8DOZ
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BU of 8doz by Molmil
Protective antibody against gonococcal lipooligosaccharide
Descriptor: ACETATE ION, Fab 2C7 lambda light chain, Fab 2C7, ...
Authors:Beernink, P.T.
Deposit date:2022-07-14
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protective antibody against gonococcal lipooligosaccharide bound to a peptide mimetic vaccine antigen
TBD
6DAU
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BU of 6dau by Molmil
Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae
Descriptor: GLYCEROL, Spermidine N1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-05-02
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
To be Published
6KVI
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BU of 6kvi by Molmil
Crystal structure of UDP-SrUGT76G1
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
Deposit date:2019-09-04
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
6QNK
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BU of 6qnk by Molmil
Antibody FAB fragment targeting Gi protein heterotrimer
Descriptor: 1,2-ETHANEDIOL, D-MALATE, FAB heavy chain, ...
Authors:Tsai, C.-J, Muehle, J, Pamula, F, Dawson, R.J.P, Maeda, S, Deupi, X, Schertler, G.F.X.
Deposit date:2019-02-11
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cryo-EM structure of the rhodopsin-G alpha i-beta gamma complex reveals binding of the rhodopsin C-terminal tail to the G beta subunit.
Elife, 8, 2019
5DS1
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BU of 5ds1 by Molmil
Core domain of the class II small heat-shock protein HSP 17.7 from Pisum sativum
Descriptor: 17.1 kDa class II heat shock protein
Authors:Hochberg, G.K.A, Laganoswky, A, Allison, T.A, Shepherd, D.A, Benesch, J.L.P.
Deposit date:2015-09-16
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions.
Science, 359, 2018
8DPZ
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BU of 8dpz by Molmil
Local refinement of SARS-CoV-2 vaccine induced antibody DH1338 bound to SARS-CoV-2 HexaPro RBD Spike ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1338 Fab Heavy Chain, DH1338 Fab Light Chain, ...
Authors:Stalls, V, May, A.J, Acharya, P.
Deposit date:2022-07-18
Release date:2023-08-02
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Local refinement of SARS-CoV-2 vaccine induced antibody Ab026500 bound to SARS-CoV-2 HexaPro RBD Spike ectodomain
To Be Published
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-07-25
Release date:2023-08-02
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
6L9B
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BU of 6l9b by Molmil
X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11A
Descriptor: Immunoglobulin G-binding protein G
Authors:Penmatsa, A, Chatterjee, J, Khatri, B, Majumder, P.
Deposit date:2019-11-08
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Increasing protein stability by engineering the n -> pi * interaction at the beta-turn.
Chem Sci, 11, 2020
5EAY
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BU of 5eay by Molmil
Crystal structure of a Dna2 peptide in complex with Rpa 70N
Descriptor: DNA replication ATP-dependent helicase/nuclease DNA2, Replication protein A 70 kDa DNA-binding subunit
Authors:Zhou, C, Pourmal, S, Pavletich, N.P.
Deposit date:2015-10-17
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dna2 nuclease-helicase structure, mechanism and regulation by Rpa.
Elife, 4, 2015
6KVJ
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BU of 6kvj by Molmil
Crystal structure of UDPX-SrUGT76G1
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
Authors:Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
Deposit date:2019-09-04
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
6L9O
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BU of 6l9o by Molmil
Crystal structure of FABP7 apo
Descriptor: Fatty acid-binding protein, brain
Authors:Wei, P.C, Yin, L.
Deposit date:2019-11-10
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of FABP7 apo
To Be Published
6KVK
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BU of 6kvk by Molmil
Crystal structure of UDP-Sm-SrUGT76G1
Descriptor: Steviolmonoside, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
Deposit date:2019-09-04
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
6L57
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BU of 6l57 by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with CIT , Mg and ATP binding at allosteric site.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Isocitrate dehydrogenase [NAD] subunit alpha, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-10-22
Release date:2020-04-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Molecular mechanism of the dual regulatory roles of ATP on the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 10, 2020
8F09
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BU of 8f09 by Molmil
Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium
Descriptor: Dihydrofolate reductase, SULFATE ION
Authors:Stogios, P.J, Evdokimova, D, Borek, D, Di Leo, R, Semper, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-11-02
Release date:2022-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium
To Be Published
8F45
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BU of 8f45 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead)
Descriptor: (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2022-11-10
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8F46
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BU of 8f46 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead)
Descriptor: 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL
Authors:Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2022-11-10
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8F44
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BU of 8f44 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor
Descriptor: (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ...
Authors:Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2022-11-10
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023

222415

数据于2024-07-10公开中

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