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6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WI3
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BU of 6wi3 by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6KI7
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BU of 6ki7 by Molmil
Pyrophosphatase mutant K30R from Acinetobacter baumannii
Descriptor: Inorganic pyrophosphatase
Authors:Su, J.
Deposit date:2019-07-17
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6KJX
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BU of 6kjx by Molmil
Galectin-13 variant C138S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
6KJY
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BU of 6kjy by Molmil
Galectin-13 variant C136S/C138S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
2GUB
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BU of 2gub by Molmil
Crystal Structure of Metal Free D-Xylose Isomerase.
Descriptor: Xylose isomerase
Authors:Carrell, H.L, Katz, A.K, Glusker, J.P.
Deposit date:2006-04-29
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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
7YJ3
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BU of 7yj3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YHW
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BU of 7yhw by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-14
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
6K21
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BU of 6k21 by Molmil
Pyrophosphatase from Acinetobacter baumannii
Descriptor: Inorganic pyrophosphatase, MAGNESIUM ION, SODIUM ION
Authors:Su, J.
Deposit date:2019-05-13
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6K27
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BU of 6k27 by Molmil
Pyrophosphatase with PPi from Acinetobacter baumannii
Descriptor: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
Authors:Su, J.
Deposit date:2019-05-13
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
2NWM
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BU of 2nwm by Molmil
Solution structure of the first SH3 domain of human Vinexin and its interaction with the peptides from Vinculin
Descriptor: Vinexin
Authors:Zhang, J, Yao, B, Wu, J, Shi, Y.
Deposit date:2006-11-15
Release date:2007-04-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the first SH3 domain of human vinexin and its interaction with vinculin peptides
Biochem.Biophys.Res.Commun., 357, 2007
3GYO
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BU of 3gyo by Molmil
Se-Met Rtt106p
Descriptor: Histone chaperone RTT106
Authors:Liu, Y, Huang, H, Shi, Y, Teng, M.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing
J.Biol.Chem., 285, 2010
2JTK
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BU of 2jtk by Molmil
A functional domain of a Wnt signal protein
Descriptor: Dickkopf-related protein 2
Authors:Chen, L, Shao, Y, Huang, J, Zheng, J.
Deposit date:2007-08-02
Release date:2008-07-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structural insight into the mechanisms of wnt signaling antagonism by dkk
J.Biol.Chem., 283, 2008
3GYP
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BU of 3gyp by Molmil
Rtt106p
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Histone chaperone RTT106
Authors:Liu, Y, Huang, H, Shi, Y, Teng, M.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing
J.Biol.Chem., 285, 2010
2GLK
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BU of 2glk by Molmil
High-resolution study of D-Xylose isomerase, 0.94A resolution.
Descriptor: GLYCEROL, MANGANESE (II) ION, Xylose isomerase
Authors:Katz, A.K, Carrell, H.L, Hanson, B.L, Harp, J.M, Glusker, J.P, Bunick, G.J.
Deposit date:2006-04-05
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
2QTH
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BU of 2qth by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
5AYG
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BU of 5ayg by Molmil
Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g
Descriptor: 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma
Authors:Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T.
Deposit date:2015-08-20
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
5F22
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BU of 5f22 by Molmil
C-terminal domain of SARS-CoV nsp8 complex with nsp7
Descriptor: Non-structural protein, Non-structural protein 7
Authors:Li, S.
Deposit date:2015-12-01
Release date:2016-01-27
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:C-terminal domain of SARS-CoV nsp8 complex with nsp7
To Be Published
7W0S
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BU of 7w0s by Molmil
TRIM7 in complex with C-terminal peptide of 2C
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase TRIM7, GLYCEROL, ...
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2021-11-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0Q
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BU of 7w0q by Molmil
TRIM7 in complex with C-terminal peptide of 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2021-11-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0T
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BU of 7w0t by Molmil
TRIM7 in complex with C-terminal peptide of 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2021-11-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
Deposit date:2020-11-17
Release date:2022-06-08
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
5CZ5
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BU of 5cz5 by Molmil
Yeast 20S proteasome beta1-T1A mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-07-31
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016

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PDB entries from 2024-07-17

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