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3AFK
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BU of 3afk by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen
Descriptor: Anti-tumor lectin, THREONINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
Descriptor: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
Authors:Konuma, T, Zhou, M.-M.
Deposit date:2023-01-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Das, K, Lin, W, Ebright, E.
Deposit date:2017-12-19
Release date:2018-02-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
5MND
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BU of 5mnd by Molmil
SFX structure of Cydia pomonella granulovirus using a double flow-focusing nozzle
Descriptor: Granulin
Authors:Oberthuer, D, Chapman, H, Doerner, K, Xavier, P.L.
Deposit date:2016-12-13
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
4V24
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BU of 4v24 by Molmil
Sphingosine kinase 1 in complex with PF-543
Descriptor: ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
Authors:Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A.
Deposit date:2014-10-05
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
6LAT
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BU of 6lat by Molmil
The cryo-EM structure of HEV VLP
Descriptor: Protein ORF2
Authors:Zheng, Q, He, M, Li, S.
Deposit date:2019-11-13
Release date:2019-12-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
6LB0
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BU of 6lb0 by Molmil
The cryo-EM structure of HEV VLP in complex with Fab 8C11
Descriptor: Protein ORF2
Authors:Zheng, Q, He, M, Li, S.
Deposit date:2019-11-13
Release date:2019-12-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
6UOE
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BU of 6uoe by Molmil
3-25 Fab germline-reversion variant bound to an HCMV gB-derived peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-25 Fab heavy chain, 3-25 Fab light chain, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2019-10-14
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of a highly conserved glycoprotein B epitope by a bivalent antibody neutralizing HCMV at a post-attachment step.
Plos Pathog., 16, 2020
6QYD
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BU of 6qyd by Molmil
Cryo-EM structure of the head in mature bacteriophage phi29
Descriptor: Capsid fiber protein, Major capsid protein
Authors:Xu, J.W, Wang, D.H, Gui, M, Xiang, Y.
Deposit date:2019-03-08
Release date:2019-06-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
4L72
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BU of 4l72 by Molmil
Crystal structure of MERS-CoV complexed with human DPP4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Wang, X.Q, Wang, N.S.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
5GS4
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BU of 5gs4 by Molmil
Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist
Descriptor: ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ...
Authors:Xie, M, Wang, T, Li, Z.-G.
Deposit date:2016-08-13
Release date:2017-08-30
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
5GTR
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BU of 5gtr by Molmil
estrogen receptor alpha in complex with a stabilized peptide antagonist 6
Descriptor: ARG-IAS-ILE-0JY-DPP-ARG-0JY-0JY-GLN-NH2, ESTRADIOL, Estrogen receptor
Authors:Xie, M, Wang, T, Li, Z.-G.
Deposit date:2016-08-23
Release date:2017-08-30
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
6KWY
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BU of 6kwy by Molmil
human PA200-20S complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, Proteasome subunit alpha type-1, ...
Authors:Ouyang, S, Hongxin, G.
Deposit date:2019-09-09
Release date:2020-04-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures.
Plos Biol., 18, 2020
6KWX
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BU of 6kwx by Molmil
cryo-EM structure of human PA200
Descriptor: INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate
Authors:Ouyang, S, Hongxin, G.
Deposit date:2019-09-09
Release date:2020-04-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures.
Plos Biol., 18, 2020
4WZF
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BU of 4wzf by Molmil
Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION
Authors:Dong, W.Y, Fu, Z.F, Peng, G.Q.
Deposit date:2014-11-19
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
8HLF
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BU of 8hlf by Molmil
Crystal structure of DddK-DMSOP complex
Descriptor: 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, MANGANESE (II) ION, Novel protein with potential Cupin domain
Authors:Peng, M, Li, C.Y, Zhang, Y.Z.
Deposit date:2022-11-30
Release date:2023-10-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
8HLE
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BU of 8hle by Molmil
Structure of DddY-DMSOP complex
Descriptor: 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION
Authors:Peng, M, Li, C.Y, Zhang, Y.Z.
Deposit date:2022-11-30
Release date:2023-10-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
7SLR
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BU of 7slr by Molmil
HIV Reverse Transcriptase with compound Pyr01
Descriptor: 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H
Authors:Klein, D.J, Zebisch, M, Gu, M.
Deposit date:2021-10-24
Release date:2022-11-23
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
7SLS
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BU of 7sls by Molmil
HIV Reverse Transcriptase with compound Pyr02
Descriptor: 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H
Authors:Klein, D.J, Zebisch, M, Gu, M.
Deposit date:2021-10-24
Release date:2022-11-23
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
8GQU
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BU of 8gqu by Molmil
AK-42 inhibitor binding human ClC-2 TMD
Descriptor: 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2
Authors:Wang, L.
Deposit date:2022-08-30
Release date:2023-07-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Nat Commun, 14, 2023
5G0Z
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BU of 5g0z by Molmil
Structure of native granulovirus polyhedrin determined using an X-ray free-electron laser
Descriptor: GRANULIN
Authors:Gati, C, Bunker, R.D, Oberthur, D, Metcalf, P, Henry, C.
Deposit date:2016-03-23
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3M3Q
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BU of 3m3q by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Ganglosides GM1 pentasaccharide
Descriptor: Anti-tumor lectin, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
3M3C
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BU of 3m3c by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with p-Nitrophenyl TF disaccharide
Descriptor: Anti-tumor lectin, P-NITROPHENOL, SULFATE ION, ...
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010

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