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6VOV
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BU of 6vov by Molmil
Crystal structure of Syk in complex with GS-9876
Descriptor: 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
Authors:Lansdon, E.B.
Deposit date:2020-01-31
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
6VT2
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BU of 6vt2 by Molmil
Sialic acid binding region of Streptococcus sanguinis SK1 adhesin bound to sTa
Descriptor: Adhesin, CALCIUM ION, GLYCEROL, ...
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-02-12
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Tandem sialoglycan-binding modules in a Streptococcus sanguinis serine-rich repeat adhesin create target dependent avidity effects.
J.Biol.Chem., 295, 2020
5WWU
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BU of 5wwu by Molmil
Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2017-01-05
Release date:2018-01-17
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
4NQJ
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BU of 4nqj by Molmil
Structure of coiled-coil domain
Descriptor: DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69
Authors:Yang, M, Li, Y.
Deposit date:2013-11-25
Release date:2014-05-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Structural insights into the TRIM family of ubiquitin E3 ligases.
Cell Res., 24, 2014
7FJ1
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BU of 7fj1 by Molmil
Cryo-EM structure of pseudorabies virus C-capsid
Descriptor: Capsid vertex component 1, DNA packaging tegument protein UL25, Major capsid protein, ...
Authors:Zheng, Q, Li, S, Zha, Z, Sun, H.
Deposit date:2021-08-02
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7FJ3
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BU of 7fj3 by Molmil
Cryo-EM structure of PRV A-capid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Zheng, Q, Li, S, Zha, Z, Sun, H.
Deposit date:2021-08-02
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (4.53 Å)
Cite:Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
5KIQ
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BU of 5kiq by Molmil
SrpA with sialyl LewisX
Descriptor: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Iverson, T.M.
Deposit date:2016-06-16
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.638 Å)
Cite:Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
6X3K
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BU of 6x3k by Molmil
Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx
Descriptor: N-acetyl-alpha-neuraminic acid, SODIUM ION, Streptococcal hemagglutinin, ...
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-05-21
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
6X3Q
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BU of 6x3q by Molmil
Hsa Siglec and Unique domains in complex with 3'sialyl-N-acetyllactosamine trisaccharide
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-05-21
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
4R83
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BU of 4r83 by Molmil
Crystal structure of Sialyltransferase from Photobacterium damsela
Descriptor: CALCIUM ION, Sialyltransferase 0160
Authors:Fisher, A.J, Chen, X, Li, Y, Huynh, N.
Deposit date:2014-08-29
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
4R9V
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BU of 4r9v by Molmil
Crystal structure of sialyltransferase from photobacterium damselae, residues 113-497 corresponding to the gt-b domain
Descriptor: CALCIUM ION, Sialyltransferase 0160
Authors:Li, Y, Huynh, N, Chen, X, Fisher, A.J.
Deposit date:2014-09-08
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
4R84
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BU of 4r84 by Molmil
Crystal structure of Sialyltransferase from Photobacterium damsela with CMP-3F(a)Neu5Ac bound
Descriptor: CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, Sialyltransferase 0160
Authors:Fisher, A.J, Chen, X, Li, Y, Huynh, N.
Deposit date:2014-08-29
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
4RHR
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BU of 4rhr by Molmil
Crystal structure of PltB
Descriptor: ACETATE ION, Putative pertussis-like toxin subunit
Authors:Gao, X, Wang, J, Galan, J.
Deposit date:2014-10-02
Release date:2014-10-29
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
4RHS
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BU of 4rhs by Molmil
Crystal structure of GD2 bound PltB
Descriptor: ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit
Authors:Gao, X, Wang, J, Galan, J.
Deposit date:2014-10-02
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9211 Å)
Cite:Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
3PCD
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BU of 3pcd by Molmil
PROTOCATECHUATE 3,4-DIOXYGENASE Y447H MUTANT
Descriptor: BETA-MERCAPTOETHANOL, CARBONATE ION, FE (III) ION, ...
Authors:Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-11-24
Release date:1998-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The axial tyrosinate Fe3+ ligand in protocatechuate 3,4-dioxygenase influences substrate binding and product release: evidence for new reaction cycle intermediates.
Biochemistry, 37, 1998
6K7O
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BU of 6k7o by Molmil
Complex structure of LILRB4 and h128-3 antibody
Descriptor: Leukocyte immunoglobulin-like receptor subfamily B member 4, h128-3 Fab heavy chain, h128-3 Fab light chain
Authors:Song, H, Chai, Y, Xu, X, Gao, F.G.
Deposit date:2019-06-08
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Disrupting LILRB4/APOE Interaction by an Efficacious Humanized Antibody Reverses T-cell Suppression and Blocks AML Development.
Cancer Immunol Res, 7, 2019
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
2DWU
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BU of 2dwu by Molmil
Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis
Descriptor: D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ...
Authors:Mehboob, S, Santarsiero, B.D, Johnson, M.E.
Deposit date:2006-08-17
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Descriptor: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
6CKM
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BU of 6ckm by Molmil
N. meningitidis CMP-sialic acid synthetase in the presence of CMP-sialic acid and Ca2+
Descriptor: CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, GLYCEROL, ...
Authors:Matthews, M.M, Fisher, A.J, Chen, X.
Deposit date:2018-02-28
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019

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