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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
6PU7
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BU of 6pu7 by Molmil
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
Descriptor: Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lesburg, C.A.
Deposit date:2019-07-17
Release date:2019-12-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
6PZY
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BU of 6pzy by Molmil
CryoEM derived model of NA-73 Fab in complex with N9 Shanghai2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-73 fragment antibody heavy chain, ...
Authors:Ward, A.B, Turner, H.L, Zhu, X.
Deposit date:2019-08-01
Release date:2019-12-04
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
Authors:Li, Z, Yu, F, Cao, S.
Deposit date:2023-01-18
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
8I3S
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BU of 8i3s by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ...
Authors:Li, Z, Yu, F, Cao, S, ZHao, H.
Deposit date:2023-01-17
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
8IW0
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BU of 8iw0 by Molmil
Crystal structure of the KANK1/liprin-beta1 complex
Descriptor: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
Authors:Zhang, J, Chen, S, Wei, Z, Yu, C.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
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
5TH1
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BU of 5th1 by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
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 (2.191 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5THF
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BU of 5thf by Molmil
Crystal structure of H3 hemagglutinin with insertion of two amino acids in the 150-loop from the A/Hong Kong/1/1968 (H3N2) 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:2016-09-29
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5THB
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BU of 5thb by Molmil
Crystal structure of H10 hemagglutinin mutant (T193D-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:2016-09-29
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
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
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
5THC
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BU of 5thc by Molmil
Crystal structure of H10 hemagglutinin mutant (T193D-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
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:2016-09-29
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5TGO
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BU of 5tgo by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-D193T-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 (2.35 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
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
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
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
5T0E
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BU of 5t0e by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with LSTa
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 (2.089 Å)
Cite:A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
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
5TGU
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BU of 5tgu by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-D193T-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
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 (2.35 Å)
Cite:The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 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
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

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