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8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
4LEJ
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BU of 4lej by Molmil
Crystal Structure of the Korean pine (Pinus koraiensis) vicilin
Descriptor: COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Jin, T.C, Wang, Y, Zhang, Y.Z.
Deposit date:2013-06-25
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Crystal Structure of Korean Pine ( Pinus koraiensis ) 7S Seed Storage Protein with Copper Ligands.
J.Agric.Food Chem., 62, 2014
6O8K
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BU of 6o8k by Molmil
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
Descriptor: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
6ILJ
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BU of 6ilj by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Gao, G.F, Liu, S, Zhao, X, Peng, R.
Deposit date:2018-10-18
Release date:2019-05-15
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6O8L
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BU of 6o8l by Molmil
Crystal Structure of C9S apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6ILK
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BU of 6ilk by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Gao, G.F, Liu, S, Zhao, X, Peng, R.
Deposit date:2018-10-18
Release date:2019-05-15
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
Descriptor: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
6O8M
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BU of 6o8m by Molmil
Crystal Structure of C9S apo Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulated bound to diamide (tetramethylazodicarboxamide).
Descriptor: N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
8GS1
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BU of 8gs1 by Molmil
Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485
Descriptor: Azi28, Azi29, FORMIC ACID, ...
Authors:Cheng, Y, Li, P, Liu, W, Fang, P.
Deposit date:2022-09-04
Release date:2023-09-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
6VYC
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BU of 6vyc by Molmil
Crystal structure of WD-repeat domain of human WDR91
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
Descriptor: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
Authors:Fischmann, T.O.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
5H21
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BU of 5h21 by Molmil
Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
Descriptor: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2016-10-13
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
Descriptor: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
Authors:Lin, T.H, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
Descriptor: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Descriptor: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
6O8O
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BU of 6o8o by Molmil
Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: CHLORIDE ION, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2020-12-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
4ZH2
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BU of 4zh2 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBR703
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.204 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
6W5I
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BU of 6w5i by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01)
Descriptor: DNA (147-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
Deposit date:2020-03-13
Release date:2021-03-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
6W5N
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BU of 6w5n by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05)
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
Deposit date:2020-03-13
Release date:2021-03-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
6W5M
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BU of 6w5m by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02)
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
Deposit date:2020-03-13
Release date:2021-03-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
Descriptor: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
Authors:Deng, X, Li, X, Dong, J, Chen, Y.
Deposit date:2014-04-10
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
3R1G
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BU of 3r1g by Molmil
Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody
Descriptor: Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain
Authors:Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J.
Deposit date:2011-03-10
Release date:2011-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo.
Sci Transl Med, 3, 2011
4ZH3
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BU of 4zh3 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.082 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015

223790

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