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5EOF
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BU of 5eof by Molmil
Crystal structure of OPTN NTD and TBK1 CTD complex
Descriptor: Optineurin, Serine/threonine-protein kinase TBK1
Authors:Li, F, Xie, X, Liu, J, Pan, L.
Deposit date:2015-11-10
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EOA
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Crystal structure of OPTN E50K mutant and TBK1 complex
Descriptor: Optineurin, Serine/threonine-protein kinase TBK1
Authors:Li, F, Xie, X, Liu, J, Pan, L.
Deposit date:2015-11-10
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
3KF4
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BU of 3kf4 by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8ILQ
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BU of 8ilq by Molmil
Structure of SFTSV Gn-Gc heterodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-03-04
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-01-21
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
Authors:Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
5GZE
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BU of 5gze by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
6C6M
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BU of 6c6m by Molmil
IgCam3 of human MLCK1
Descriptor: Myosin light chain kinase, smooth muscle
Authors:Zuccola, H.J, Turner, J.
Deposit date:2018-01-19
Release date:2019-01-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intracellular MLCK1 diversion reverses barrier loss to restore mucosal homeostasis.
Nat. Med., 25, 2019
5GZG
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BU of 5gzg by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
2O9Q
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BU of 2o9q by Molmil
The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K
Descriptor: CALCIUM ION, Cationic trypsin, ORB2K, ...
Authors:Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R.
Deposit date:2006-12-14
Release date:2007-12-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift
To be Published
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
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
Descriptor: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-02
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LK9
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BU of 7lk9 by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
Descriptor: COV107-23 heavy chain, COVD21-C8 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-01
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
5GZC
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BU of 5gzc by Molmil
Crystal structure of Galectin-8 N-CRD with part of linker
Descriptor: GLYCEROL, Galectin-8, SODIUM ION
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
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
3Q7G
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BU of 3q7g by Molmil
Crystal Structure of E2 domain of Human Amyloid Precursor-Like Protein 1 in complex with SOS (sucrose octasulfate)
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Amyloid-like protein 1
Authors:Xue, Y, Ha, Y.
Deposit date:2011-01-04
Release date:2011-06-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
J.Biol.Chem., 286, 2011
7X7T
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BU of 7x7t by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7V
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BU of 7x7v by Molmil
Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7U
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BU of 7x7u by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
3L42
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BU of 3l42 by Molmil
PWWP domain of human bromodomain and PHD finger containing protein 1
Descriptor: Peregrin, UNKNOWN ATOM OR ION
Authors:Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
5GZD
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BU of 5gzd by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016

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