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5AGC
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BU of 5agc by Molmil
Crystallographic forms of the Vps75 tetramer
Descriptor: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 75
Authors:Hammond, C.M, Sundaramoorthy, R, Owen-Hughes, T.
Deposit date:2015-01-29
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Histone Chaperone Vps75 Forms Multiple Oligomeric Assemblies Capable of Mediating Exchange between Histone H3-H4 Tetramers and Asf1-H3-H4 Complexes.
Nucleic Acids Res., 44, 2016
6IG5
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BU of 6ig5 by Molmil
Crystal structure of argininosuccinate lyase from Mycobacterium tuberculosis
Descriptor: Argininosuccinate lyase
Authors:Chen, X.B, Liu, X.
Deposit date:2018-09-24
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Crystal structure and biochemical study on argininosuccinate lyase from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 510, 2019
4AWP
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BU of 4awp by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
5XL6
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BU of 5xl6 by Molmil
The structure of hemagglutinin Q226L mutant from a avian-origin H4N6 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6IGA
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BU of 6iga by Molmil
Crystal structure of argininosuccinate lyase from Mycobacterium tuberculosis
Descriptor: Argininosuccinate lyase, SULFATE ION
Authors:Chen, X.B, Liu, X.
Deposit date:2018-09-25
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.776 Å)
Cite:Crystal structure and biochemical study on argininosuccinate lyase from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 510, 2019
5XL7
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BU of 5xl7 by Molmil
The structure of hemagglutinin Q226L mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
4BXJ
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BU of 4bxj by Molmil
CRYSTAL STRUCTURE OF AMPDH3 FROM PSEUDOMONAS AERUGINOSA
Descriptor: AMPDH3, GLYCEROL
Authors:Carrasco-Lopez, C, Hermoso, J.A.
Deposit date:2013-07-12
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cell-Wall Remodeling by the Zinc-Protease Ampdh3 from Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
Descriptor: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5XLA
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BU of 5xla by Molmil
The structure of hemagglutinin G228S mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL4
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BU of 5xl4 by Molmil
The structure of hemagglutinin from an avian-origin H4N6 influenza virus in complex with human receptor analog Lstc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL8
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BU of 5xl8 by Molmil
The structure of hemagglutinin G228S mutant from a avian-origin H4N6 influenza virus (A/duck/Czech/1956)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
4BXE
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BU of 4bxe by Molmil
CRYSTAL STRUCTURE OF AMPDH3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH ANHYDROMURAMIC PENTAPEPTIDE
Descriptor: ACETATE ION, AMPDH3, ANHYDROMURAMIC PEPTIDE, ...
Authors:Artola-Recolons, C, Hermoso, J.A.
Deposit date:2013-07-10
Release date:2013-10-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Cell-Wall Remodeling by the Zinc-Protease Ampdh3 from Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5XLB
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BU of 5xlb by Molmil
The structure of hemagglutinin Q226L-G228S mutant from an avian-origin H4N6 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL2
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BU of 5xl2 by Molmil
The structure of hemagglutininfrom a swine-origin H4N6 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Song, H, Qi, J, Gao, G.F.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
4ANV
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BU of 4anv by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
5XLD
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BU of 5xld by Molmil
The structure of hemagglutinin Q226L-G228S mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
6JBZ
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BU of 6jbz by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: MoaD/ThiS family protein, Molybdenum cofactor biosynthesis protein E, SULFATE ION
Authors:Wang, H.Y, Liu, X.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
6JC0
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BU of 6jc0 by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
Authors:Liu, X, Wang, H.Y.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
8VQR
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BU of 8vqr by Molmil
Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hsueh, F.-C, Shi, K, Aihara, H, Li, F.
Deposit date:2024-01-19
Release date:2024-05-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.565 Å)
Cite:Structural basis for raccoon dog receptor recognition by SARS-CoV-2
To Be Published
7E6V
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BU of 7e6v by Molmil
The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa
Descriptor: ACETATE ION, Protein 2C
Authors:Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S.
Deposit date:2021-02-24
Release date:2022-06-29
Last modified:2022-07-20
Method:X-RAY DIFFRACTION (1.832 Å)
Cite:An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023

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