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8IW5
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BU of 8iw5 by Molmil
Crystal structure of liprin-beta H2H3 dimer
Descriptor: CALCIUM ION, Liprin-beta-1
Authors:Zhang, J, Chen, S, Wei, Z.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IVZ
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BU of 8ivz by Molmil
Crystal structure of talin R7 in complex with KANK1 KN motif
Descriptor: KN motif and ankyrin repeat domains 1, Talin-1
Authors:Xu, Y, Li, K, Wei, Z, Cong, Y.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
7U2E
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BU of 7u2e by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADI-55688
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-55688 heavy chain, ADI-55688 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U2D
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BU of 7u2d by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADG20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADG20 heavy chain, ADG20 light chain, ...
Authors:Zhu, X, Yuan, M, Wilson, I.A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SD4
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BU of 8sd4 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Descriptor: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Kadam, R.U, Zhu, X, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD2
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BU of 8sd2 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
Descriptor: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kadam, R.U, Zhu, X.Y, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
1W8D
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BU of 1w8d by Molmil
Binary structure of human DECR.
Descriptor: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, GLYCEROL, ...
Authors:Alphey, M.S, Byres, E, Hunter, W.N.
Deposit date:2004-09-20
Release date:2004-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1W73
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BU of 1w73 by Molmil
Binary structure of human DECR solved by SeMet SAD.
Descriptor: 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Alphey, M.S, Byres, E, Hunter, W.N.
Deposit date:2004-08-27
Release date:2004-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1W6U
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BU of 1w6u by Molmil
Structure of human DECR ternary complex
Descriptor: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ...
Authors:Alphey, M.S, Byres, E, Li, D, Hunter, W.N.
Deposit date:2004-08-24
Release date:2004-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
1E1X
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BU of 1e1x by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027
Descriptor: 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
1E1V
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BU of 1e1v by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058
Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
5T0D
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BU of 5t0d by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ...
Authors:Wilson, I.A, Tzarum, N, Zhu, X.
Deposit date:2016-08-15
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.864 Å)
Cite:A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5TGV
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BU of 5tgv by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-D193T-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2016-09-28
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.974 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5V7R
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BU of 5v7r by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-7.1 Fab
Descriptor: CBTAU-7.1 Fab heavy chain, CBTAU-7.1 Fab light chain
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
6E7G
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BU of 6e7g by Molmil
Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2018-07-26
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
5T08
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BU of 5t08 by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain
Authors:Wilson, I.A, Tzarum, N, Zhu, X.
Deposit date:2016-08-15
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1895 Å)
Cite:A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
6E7H
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BU of 6e7h by Molmil
Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1 influenza virus in complex with 3'-GcLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2018-07-26
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
5V7U
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BU of 5v7u by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
Descriptor: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
5VJK
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BU of 5vjk by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2017-04-19
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
5VJM
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BU of 5vjm by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9) with LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2017-04-19
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
Authors:Skene, R.J.
Deposit date:2017-03-05
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
5T0B
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BU of 5t0b by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ...
Authors:Wilson, I.A, Tzarum, N, Zhu, X.
Deposit date:2016-08-15
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5TH0
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BU of 5th0 by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2016-09-28
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017

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