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6XBI
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BU of 6xbi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBH
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BU of 6xbh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBG
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BU of 6xbg by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
4QAU
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BU of 4qau by Molmil
Crystal structure of F43Y mutant of sperm whale myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y, Tan, X, Li, W.
Deposit date:2014-05-06
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:A Novel Tyrosine-Heme C-O Covalent Linkage in F43Y Myoglobin: A New Post-translational Modification of Heme Proteins
Chembiochem, 16, 2015
6VIL
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BU of 6vil by Molmil
Crystal structure of mouse BAHCC1 BAH domain in complex with H3K27me3
Descriptor: BAH and coiled-coil domain-containing protein 1, Histone H3.1
Authors:Song, J, Lu, J.
Deposit date:2020-01-13
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:BAHCC1 binds H3K27me3 via a conserved BAH module to mediate gene silencing and oncogenesis.
Nat.Genet., 52, 2020
5USL
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BU of 5usl by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv304
Descriptor: Fab vv304 Heavy chain, Fab vv304 Light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
5USH
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BU of 5ush by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv66
Descriptor: Fab vv66 heavy chain, Fab vv66 light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
2WW3
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BU of 2ww3 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside
Descriptor: CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ...
Authors:Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW1
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BU of 2ww1 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Thiomannobioside
Descriptor: PUTATIVE ALPHA-1,2-MANNOSIDASE, alpha-D-mannopyranose-(1-2)-methyl 2-thio-alpha-D-mannopyranoside
Authors:Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVX
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BU of 2wvx by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE
Authors:Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW0
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BU of 2ww0 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, CALCIUM ION, GLYCEROL, ...
Authors:Suits, M.D.L, Thompson, A, Zhu, Y, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVY
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BU of 2wvy by Molmil
STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482
Descriptor: ALPHA-1,2-MANNOSIDASE
Authors:Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW2
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BU of 2ww2 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT2199 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, ALPHA-1,2-MANNOSIDASE, ...
Authors:Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVZ
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BU of 2wvz by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: CALCIUM ION, GLYCEROL, KIFUNENSINE, ...
Authors:Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
3F62
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BU of 3f62 by Molmil
Crystal Structure of Human IL-18 in complex with Ectromelia virus IL-18 Binding Protein
Descriptor: Interleukin 18 binding protein, Interleukin-18
Authors:Krumm, B.E, Li, Y, Deng, J.
Deposit date:2008-11-05
Release date:2009-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for antagonism of human interleukin 18 by poxvirus interleukin 18-binding protein.
Proc.Natl.Acad.Sci.USA, 105, 2008
7VOA
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BU of 7voa by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2021-10-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
6WIG
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BU of 6wig by Molmil
Structure of STENOFOLIA Protein HD domain bound with DNA
Descriptor: DNA (5'-D(P*CP*TP*TP*GP*AP*AP*TP*AP*AP*AP*TP*CP*AP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*AP*AP*TP*GP*AP*TP*TP*TP*AP*TP*TP*CP*AP*AP*G)-3'), STENOFOLIA
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2020-04-09
Release date:2021-08-11
Last modified:2022-02-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA.
Acta Crystallogr D Struct Biol, 77, 2021
7KX5
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BU of 7kx5 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A
Descriptor: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
3KEA
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BU of 3kea by Molmil
Structure function studies of vaccinia virus host-range protein K1 reveal a novel ankyrin repeat interaction surface for K1s function
Descriptor: K1L
Authors:Li, Y.
Deposit date:2009-10-25
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function studies of vaccinia virus host range protein k1 reveal a novel functional surface for ankyrin repeat proteins.
J.Virol., 84, 2010
1X8C
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BU of 1x8c by Molmil
Crystal structure of the SeMet-derivative copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Descriptor: CALCIUM ION, Copper homeostasis protein cutC
Authors:Wang, D.C, Zhu, D.Y.
Deposit date:2004-08-18
Release date:2005-08-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: the first structure of a new sequence family of TIM barrels
Proteins, 58, 2005
2P6W
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BU of 2p6w by Molmil
Crystal structure of a glycosyltransferase involved in the glycosylation of the major capsid of PBCV-1
Descriptor: CITRATE ANION, MANGANESE (II) ION, Putative glycosyltransferase (Mannosyltransferase) involved in glycosylating the PBCV-1 major capsid protein
Authors:Zhang, Y, Ye, X, Van Etten, J.L, Rossmann, M.G.
Deposit date:2007-03-19
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of a chlorella virus-encoded glycosyltransferase.
Structure, 15, 2007
4LPI
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BU of 4lpi by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a distal hydrogen-bonding network
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
7EQ2
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BU of 7eq2 by Molmil
Crystal structure of GDP-bound Rab1a-T75D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ...
Authors:Cao, Y.L, Gu, D.D, Gao, S.
Deposit date:2021-04-28
Release date:2022-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55090284 Å)
Cite:Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-08-12
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021

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