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7SVB
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BU of 7svb by Molmil
APE1 exonuclease substrate complex with 8oxoG opposite C
Descriptor: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Whitaker, A.W, Freudenthal, B.D.
Deposit date:2021-11-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Processing oxidatively damaged bases at DNA strand breaks by APE1.
Nucleic Acids Res., 50, 2022
7T1J
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BU of 7t1j by Molmil
Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
7T5Z
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BU of 7t5z by Molmil
P. aeruginosa LpxA in complex with ligand L8
Descriptor: (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5X
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BU of 7t5x by Molmil
P. aeruginosa LpxA in complex with ligand L6
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7TCP
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BU of 7tcp by Molmil
Structure of Xenopus KCNQ1-CaM
Descriptor: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1
Authors:Willegems, K, Kyriakis, E, Van Petegem, F, Eldstrom, J, Fedida, D.
Deposit date:2021-12-27
Release date:2022-07-06
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structural and electrophysiological basis for the modulation of KCNQ1 channel currents by ML277.
Nat Commun, 13, 2022
7T60
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BU of 7t60 by Molmil
P. aeruginosa LpxA in complex with ligand L13
Descriptor: (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T61
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BU of 7t61 by Molmil
P. aeruginosa LpxA in complex with ligand L15
Descriptor: (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7SVM
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BU of 7svm by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-2
Descriptor: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVN
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BU of 7svn by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-1
Descriptor: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVO
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BU of 7svo by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-1
Descriptor: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7T75
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BU of 7t75 by Molmil
HIV-1 Envelope ApexGT2 in complex with RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2 gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2021-12-14
Release date:2022-09-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T74
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BU of 7t74 by Molmil
HIV-1 Envelope ApexGT2 in complex with PCT64.35S Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2 gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2021-12-14
Release date:2022-09-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T76
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BU of 7t76 by Molmil
HIV-1 Envelope ApexGT3 in complex with PG9.iGL Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT3 gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2021-12-14
Release date:2022-09-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T77
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BU of 7t77 by Molmil
HIV-1 Envelope ApexGT3.N130 in complex with PG9 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT3.N130 gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2021-12-14
Release date:2022-09-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7SQX
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BU of 7sqx by Molmil
Crystal Structure of Pseudomonas aeruginosa lytic polysaccharide monooxygenase CbpD
Descriptor: AMMONIUM ION, Chitin-binding protein CbpD
Authors:Dade, C, Douzi, B, Ball, G, Voulhoux, R, Forest, K.T.
Deposit date:2021-11-07
Release date:2022-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of CbpD clarifies substrate-specificity motifs in chitin-active lytic polysaccharide monooxygenases.
Acta Crystallogr D Struct Biol, 78, 2022
7T73
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BU of 7t73 by Molmil
HIV-1 Envelope ApexGT2.2MUT in complex with PCT64.LMCA Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2.2MUT gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2021-12-14
Release date:2022-09-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7SVL
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BU of 7svl by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-2
Descriptor: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7T12
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BU of 7t12 by Molmil
Hexameric HIV-1 (O-group) CA
Descriptor: Capsid protein p24
Authors:Jacques, D.A, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T15
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BU of 7t15 by Molmil
Hexameric SIVcpz CA
Descriptor: Capsid protein p24
Authors:Jacques, D.A, Dickson, C.F, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7TBA
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BU of 7tba by Molmil
Pentraxin - ligand complex
Descriptor: C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid
Authors:Shing, K.S.C.T, Morton, C.J, Parker, M.W.
Deposit date:2021-12-21
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein.
Embo Mol Med, 15, 2023
7T14
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BU of 7t14 by Molmil
Hexameric SIVmac CA
Descriptor: Capsid protein p24
Authors:Jacques, D.A, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7SLL
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BU of 7sll by Molmil
[U:Ag+:U--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SO8
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BU of 7so8 by Molmil
Crystal structure of Glutathione S-Transferase from Shrimp Litopenaeus vannamei in complex with silver ions and a molecules of Glutathione binding in G-site and H-site
Descriptor: GLUTATHIONE, Glutathione transferase, PENTAETHYLENE GLYCOL, ...
Authors:Escudero-Garcia, A, Rudino-Pinera, E, Miranda-Blancas, R.
Deposit date:2021-10-29
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of GST class Mu of the shrimp Litopenaeus vannamei by binding silver ions in H-site.
To Be Published
4V8R
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BU of 4v8r by Molmil
The crystal structures of the eukaryotic chaperonin CCT reveal its functional partitioning
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Kalisman, N, Schroder, G.F, Levitt, M.
Deposit date:2012-03-28
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Crystal Structures of the Eukaryotic Chaperonin Cct Reveal its Functional Partitioning
Structure, 21, 2013
4UTK
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BU of 4utk by Molmil
XenA - reduced - Y183F variant
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, SULFATE ION, XENOBIOTIC REDUCTASE
Authors:Werther, T, Dobbek, H.
Deposit date:2014-07-21
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017

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數據於2024-09-25公開中

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