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8H5C
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BU of 8h5c by Molmil
Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2
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, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F.
Deposit date:2022-10-12
Release date:2023-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhou, L.N, Gui, M, Wu, J.P.
Deposit date:2023-04-05
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
Descriptor: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
7VXG
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BU of 7vxg by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
Descriptor: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Li, T.H, Guo, H.T, Ji, X.Y.
Deposit date:2021-11-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
Descriptor: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
Descriptor: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:D'Angelo, N, Bellon, S, Whittington, D.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3SQJ
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BU of 3sqj by Molmil
Recombinant human serum albumin from transgenic plant
Descriptor: MYRISTIC ACID, Serum albumin
Authors:He, Y, Yang, D.
Deposit date:2011-07-05
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Large-scale production of functional human serum albumin from transgenic rice seeds.
Proc.Natl.Acad.Sci.USA, 108, 2011
6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2019-01-21
Release date:2019-03-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
6NCL
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BU of 6ncl by Molmil
Near-atomic structure of icosahedrally averaged PBCV-1 capsid
Descriptor: Major capsid protein, P1, P10, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2018-12-11
Release date:2019-01-30
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic structure of a giant virus.
Nat Commun, 10, 2019
6NNW
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BU of 6nnw by Molmil
Tsn15 in complex with substrate intermediate
Descriptor: (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ...
Authors:Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis
Nat Catal, 2019
6NOI
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BU of 6noi by Molmil
Crystal structure of Tsn15 in apo form
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TRIETHYLENE GLYCOL, ...
Authors:Little, R, Paiva, F.C.R, Dias, M.V.B, Leadlay, P.
Deposit date:2019-01-16
Release date:2019-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis
Nat Catal, 2019
7F29
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BU of 7f29 by Molmil
Cryo-EM structure of the fibril formed by disaccharide-modified amyloid-beta(1-42)
Descriptor: ACETIC ACID, Amyloid-beta A4 protein, beta-D-galactopyranose-(1-3)-2-amino-2-deoxy-alpha-D-galactopyranose
Authors:Xia, W.C, Sun, Y.P, Liu, C.
Deposit date:2021-06-10
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:O-Glycosylation Induces Amyloid-beta To Form New Fibril Polymorphs Vulnerable for Degradation
J.Am.Chem.Soc., 143, 2021
5GSW
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BU of 5gsw by Molmil
Crystal structure of EV71 3C in complex with N69S 1.8k
Descriptor: 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Wang, Y.
Deposit date:2016-08-17
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor
Antimicrob. Agents Chemother., 61, 2017
3S0Z
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BU of 3s0z by Molmil
Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1)
Descriptor: Metallo-beta-lactamase, ZINC ION
Authors:Guo, Y, Wang, J, Niu, G.J, Shui, W.Q, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
Deposit date:2011-05-13
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural view of the antibiotic degradation enzyme NDM-1 from a superbug.
Protein Cell, 2011
5GSO
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BU of 5gso by Molmil
Crystal Structures of EV71 3C Protease in complex with NK-1.8k
Descriptor: 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Wang, Y.
Deposit date:2016-08-16
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor
Antimicrob. Agents Chemother., 61, 2017
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
Descriptor: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
Authors:Zhou, A, Wei, Z, Bai, J, Wang, H.
Deposit date:2018-03-06
Release date:2019-03-27
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
3AL4
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BU of 3al4 by Molmil
Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic 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, ...
Authors:Zhang, W, Qi, J.X, Shi, Y, Li, Q, Yan, J.H, Gao, G.F.
Deposit date:2010-07-22
Release date:2010-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.872 Å)
Cite:Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus
Protein Cell, 1, 2010
6OZB
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BU of 6ozb by Molmil
Crystal structure of the phycoerythrobilin-bound GAF domain from a cyanobacterial phytochrome
Descriptor: PHYCOERYTHROBILIN, Two-component sensor histidine kinase
Authors:Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OZA
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BU of 6oza by Molmil
Crystal structure of the phycocyanobilin-bound GAF domain from a cyanobacterial phytochrome
Descriptor: PHYCOCYANOBILIN, Two-component sensor histidine kinase
Authors:Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XOM
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BU of 6xom by Molmil
DCN1 bound to 8
Descriptor: (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ...
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOL
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BU of 6xol by Molmil
DCN1 bound to DI-1548
Descriptor: Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOP
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BU of 6xop by Molmil
DCN1 bound to inhibitor 10
Descriptor: Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XON
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BU of 6xon by Molmil
DCN1 bound to inhibitor 9
Descriptor: (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOO
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BU of 6xoo by Molmil
DCN1 bound to DI-1859
Descriptor: Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021

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