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8I3G
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BU of 8i3g by Molmil
Crystal structure of Eaf3-Eaf7 complex
Descriptor: Chromatin modification-related protein EAF3, Chromatin modification-related protein EAF7
Authors:Chen, Z, Xu, C.
Deposit date:2023-01-17
Release date:2023-05-31
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for Eaf3-mediated assembly of Rpd3S and NuA4.
Cell Discov, 9, 2023
8I3F
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BU of 8i3f by Molmil
Crystal structure of Rco1-Eaf3 with peptide of histone H3 N-terminal
Descriptor: Chromatin modification-related protein EAF3, Histone H3, RCO1 isoform 1, ...
Authors:Chen, Z, Xu, C.
Deposit date:2023-01-17
Release date:2023-05-31
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular basis for Eaf3-mediated assembly of Rpd3S and NuA4.
Cell Discov, 9, 2023
2DD8
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BU of 2dd8 by Molmil
Crystal Structure of SARS-CoV Spike Receptor-Binding Domain Complexed with Neutralizing Antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IGG Heavy Chain, IGG Light Chain, ...
Authors:Prabakaran, P, Gan, J.H, Feng, Y, Zhu, Z.Y, Xiao, X.D, Ji, X, Dimitrov, D.S.
Deposit date:2006-01-24
Release date:2006-04-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Severe Acute Respiratory Syndrome Coronavirus Receptor-binding Domain Complexed with Neutralizing Antibody
J.Biol.Chem., 281, 2006
6Z72
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BU of 6z72 by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPM
Descriptor: 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ...
Authors:Zorzini, V, Rack, J, Ahel, I.
Deposit date:2020-05-29
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
6Z5T
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BU of 6z5t by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION
Authors:Zorzini, V, Rack, J, Ahel, I.
Deposit date:2020-05-27
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
6Z6I
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BU of 6z6i by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPD
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ...
Authors:Zorzini, V, Rack, J, Ahel, I.
Deposit date:2020-05-28
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
4TTR
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BU of 4ttr by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with Bu2
Descriptor: 1,3-BUTANEDIOL, Dephospho-CoA kinase, PHOSPHATE ION
Authors:Yu, D, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
4TTP
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BU of 4ttp by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in apo-form
Descriptor: Dephospho-CoA kinase
Authors:Gong, X, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
4TTQ
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BU of 4ttq by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dephospho-CoA kinase, PHOSPHATE ION
Authors:Chen, X, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
4PAR
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BU of 4par by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA
Descriptor: 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-09
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
3LGP
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BU of 3lgp by Molmil
Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
Descriptor: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2010-01-21
Release date:2010-07-28
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1QUA
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BU of 1qua by Molmil
CRYSTAL STRUCTURE OF ACUTOLYSIN-C, A HEMORRHAGIC TOXIN FROM THE SNAKE VENOM OF AGKISTRODON ACUTUS, AT 2.2 A RESOLUTION
Descriptor: ACUTOLYSIN-C, ZINC ION
Authors:Niu, L, Teng, M, Zhu, X.
Deposit date:1999-06-30
Release date:2000-07-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of acutolysin-C, a haemorrhagic toxin from the venom of Agkistrodon acutus, providing further evidence for the mechanism of the pH-dependent proteolytic reaction of zinc metalloproteinases.
Acta Crystallogr.,Sect.D, 55, 1999
2A4R
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BU of 2a4r by Molmil
HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.
Descriptor: NS3 protease/helicase, Ns4a peptide, ZINC ION, ...
Authors:Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
2A4Q
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BU of 2a4q by Molmil
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
Descriptor: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ...
Authors:Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
1BUD
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BU of 1bud by Molmil
ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0
Descriptor: CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION
Authors:Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L.
Deposit date:1998-09-03
Release date:1999-09-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus.
J.Mol.Biol., 283, 1998
6AKW
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BU of 6akw by Molmil
Crystal structure of RNA dioxygenase bound with an inhibitor
Descriptor: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO
Authors:Yang, C.-G, Huang, Y, Gan, J.
Deposit date:2018-09-04
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
6IIO
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BU of 6iio by Molmil
Cryo-EM structure of CV-A10 native empty particle
Descriptor: VP0, VP1, VP3
Authors:Chen, J.H, Ye, X.H, Cong, Y, Huang, Z.
Deposit date:2018-10-07
Release date:2018-11-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
6IIJ
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BU of 6iij by Molmil
Cryo-EM structure of CV-A10 mature virion
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Chen, J.H, Ye, X.H, Cong, Y, Huang, Z.
Deposit date:2018-10-06
Release date:2018-11-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
3CQ0
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BU of 3cq0 by Molmil
Crystal Structure of TAL2_YEAST
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Putative transaldolase YGR043C, ...
Authors:Huang, H, Niu, L, Teng, M.
Deposit date:2008-04-01
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure and identification of NQM1/YGR043C, a transaldolase from Saccharomyces cerevisiae
Proteins, 73, 2008
8TL6
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BU of 8tl6 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF5
Descriptor: DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1
Authors:Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S.
Deposit date:2023-07-26
Release date:2024-04-03
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF.
Nature, 628, 2024
3E17
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BU of 3e17 by Molmil
Crystal structure of the second PDZ domain from human Zona Occludens-2
Descriptor: Tight junction protein ZO-2
Authors:Chen, H, Tong, S.L, Teng, M.K, Niu, L.W.
Deposit date:2008-08-01
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the second PDZ domain from human zonula occludens 2
Acta Crystallogr.,Sect.F, 65, 2009
8Y33
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BU of 8y33 by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
Authors:Hu, X, Xu, Y.
Deposit date:2024-01-28
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8YT5
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BU of 8yt5 by Molmil
SP1746 treated with EDTA, in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical)
Authors:Jin, Y, Niu, L, Ke, J.
Deposit date:2024-03-25
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 2024
4DJV
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BU of 4djv by Molmil
Structure of BACE Bound to 2-imino-5-(3'-methoxy-[1,1'-biphenyl]-3-yl)-3-methyl-5-phenylimidazolidin-4-one
Descriptor: (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJW
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BU of 4djw by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one
Descriptor: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012

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