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8CMA
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BU of 8cma by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-02-18
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
7ZFE
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BU of 7zfe by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-32 Fab and nanobody C1
Descriptor: Nanobody C1, Omi-32 heavy chain, Omi-32 light chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFD
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BU of 7zfd by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-25 Fab
Descriptor: Omi-25 heavy chain, Omi-25 light chain, Spike protein S1
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFF
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BU of 7zff by Molmil
Omi-42 Fab
Descriptor: GLYCEROL, Omi-42 Heavy chain, Omi-42 light chain
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF6
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BU of 7zf6 by Molmil
Omi-12 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, GLYCEROL, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFC
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BU of 7zfc by Molmil
SARS-CoV-2 Beta RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
Descriptor: Nanobody C1, Omi-18 heavy chain, Omi-18 light chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF8
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BU of 7zf8 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab
Descriptor: COVOX-150 heavy chain, COVOX-150 light chain, Spike protein S1
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFB
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BU of 7zfb by Molmil
SARS-CoV-2 Omicron RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody C1, Omi-18 heavy chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF9
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BU of 7zf9 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab (P21)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-150 heavy chain, COVOX-150 light chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF7
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BU of 7zf7 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF5
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BU of 7zf5 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-12 and Beta-54 Fabs
Descriptor: Beta-54 heavy chain, Beta-54 light chain, Omi-12 heavy chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (5.32 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF3
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BU of 7zf3 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-3 and EY6A Fabs
Descriptor: EY6A heavy chain, EY6A light chain, GLYCEROL, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF4
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BU of 7zf4 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-9 Fab and nanobody F2
Descriptor: Nanobody F2, Omi-9 heavy chain, Omi-9 light chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.18 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFA
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BU of 7zfa by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-6 and COVOX-150 Fabs
Descriptor: COVOX-150 heavy chain, COVOX-150 light chain, Omi-6 heavy chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.24 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
8OY2
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BU of 8oy2 by Molmil
Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260
Descriptor: (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione, Cyclin-dependent kinase 2, GLYCEROL
Authors:Kordes, S, Harvey, C.J.B.
Deposit date:2023-05-03
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.618 Å)
Cite:Resistance gene-guided genome mining reveals the roseopurpurins as inhibitors of cyclin-dependent kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
1Z1Z
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BU of 1z1z by Molmil
NMR structure of the gpu tail protein from lambda bacteriophage
Descriptor: Minor tail protein U
Authors:Edmonds, L, Maxwell, K, Davidson, A, Donaldson, L.W.
Deposit date:2005-03-07
Release date:2006-04-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR structure of the gpU tail-terminator protein from bacteriophage lambda: identification of sites contributing to Mg(II)-mediated oligomerization and biological function.
J.Mol.Biol., 365, 2007
6MAE
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BU of 6mae by Molmil
CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide
Descriptor: (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Shu, W.
Deposit date:2018-08-27
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
J. Med. Chem., 61, 2018
6PEU
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BU of 6peu by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with peptide
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLY-ARG-LEU-GLY-PHE-TYR-GLY-TYR-ASP-LEU-GLN-ASP, MAGNESIUM ION, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-20
Release date:2019-11-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-19
Release date:2020-01-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
1TMB
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BU of 1tmb by Molmil
MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Qiu, X, Padmanabhan, K.P, Maryanoff, B.E, Tulinsky, A.
Deposit date:1993-05-27
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A.
Proc.Natl.Acad.Sci.USA, 90, 1993
4FAN
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BU of 4fan by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FB1
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BU of 4fb1 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, HEME C, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FAV
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BU of 4fav by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FA9
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BU of 4fa9 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 30 Days
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FA5
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BU of 4fa5 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013

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PDB entries from 2024-08-28

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