3O9J
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![BU of 3o9j by Molmil](/molmil-images/mine/3o9j) | Influenza NA in complex with compound 5 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | Authors: | Russell, R.J, Kerry, P.S. | Deposit date: | 2010-08-04 | Release date: | 2010-12-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.0002 Å) | Cite: | Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase. Nat Commun, 1, 2010
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8S90
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![BU of 8s90 by Molmil](/molmil-images/mine/8s90) | |
8S8Z
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![BU of 8s8z by Molmil](/molmil-images/mine/8s8z) | Cryo-EM structure of octameric human CALHM1 (I109W) in complex with ruthenium red | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) | Authors: | Syrjanen, J.L, Furukawa, H. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red. Nat Commun, 14, 2023
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3IAD
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![BU of 3iad by Molmil](/molmil-images/mine/3iad) | |
4D8S
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![BU of 4d8s by Molmil](/molmil-images/mine/4d8s) | Influenza NA in complex with antiviral compound | Descriptor: | CALCIUM ION, Neuraminidase, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | Authors: | Kerry, P.S, Russell, R.J.M.R. | Deposit date: | 2012-01-11 | Release date: | 2013-02-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Exploring the interactions of unsaturated glucuronides with influenza virus sialidase. J.Med.Chem., 55, 2012
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5CAZ
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![BU of 5caz by Molmil](/molmil-images/mine/5caz) | Crystallographic structure of apo human rotavirus K8 VP8* | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein VP4, ... | Authors: | Yu, X, Blanchard, H. | Deposit date: | 2015-06-30 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substantial Receptor-induced Structural Rearrangement of Rotavirus VP8*: Potential Implications for Cross-Species Infection. Chembiochem, 16, 2015
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5CB7
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![BU of 5cb7 by Molmil](/molmil-images/mine/5cb7) | |
5CA6
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![BU of 5ca6 by Molmil](/molmil-images/mine/5ca6) | |
3I27
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![BU of 3i27 by Molmil](/molmil-images/mine/3i27) | Structure of bovine torovirus Hemagglutinin-Esterase in complex with receptor | 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-esterase, ... | Authors: | Zeng, Q.H, Huizinga, E.G. | Deposit date: | 2009-06-29 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases Proc.Natl.Acad.Sci.USA, 106, 2009
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3I26
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![BU of 3i26 by Molmil](/molmil-images/mine/3i26) | Structure of bovine torovirus Hemagglutinin-Esterase | 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-esterase, ... | Authors: | Zeng, Q.H, Huizinga, E.G. | Deposit date: | 2009-06-29 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases Proc.Natl.Acad.Sci.USA, 106, 2009
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3I1L
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![BU of 3i1l by Molmil](/molmil-images/mine/3i1l) | |
5OBK
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![BU of 5obk by Molmil](/molmil-images/mine/5obk) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F. | Deposit date: | 2017-06-28 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins. J. Med. Chem., 61, 2018
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3I1K
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![BU of 3i1k by Molmil](/molmil-images/mine/3i1k) | Structure of porcine torovirus Hemagglutinin-Esterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Hemagglutinin-esterase protein | Authors: | Zeng, Q.H, Huizinga, E.G. | Deposit date: | 2009-06-26 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases Proc.Natl.Acad.Sci.USA, 106, 2009
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5EBU
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![BU of 5ebu by Molmil](/molmil-images/mine/5ebu) | Aerococcus viridans L-lactate oxidase Y215F mutant | Descriptor: | FLAVIN MONONUCLEOTIDE, L-lactate oxidase, PYRUVIC ACID | Authors: | Rainer, D, Nidetzky, B, Wilson, D.K. | Deposit date: | 2015-10-19 | Release date: | 2016-06-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational flexibility related to enzyme activity: evidence for a dynamic active-site gatekeeper function of Tyr(215) in Aerococcus viridans lactate oxidase. Sci Rep, 6, 2016
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2P3I
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![BU of 2p3i by Molmil](/molmil-images/mine/2p3i) | Crystal structure of Rhesus Rotavirus VP8* at 295K | Descriptor: | 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4 | Authors: | Blanchard, H. | Deposit date: | 2007-03-09 | Release date: | 2008-03-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein Glycobiology, 19, 2009
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2P3J
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![BU of 2p3j by Molmil](/molmil-images/mine/2p3j) | |
2P3K
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![BU of 2p3k by Molmil](/molmil-images/mine/2p3k) | Crystal structure of Rhesus rotavirus VP8* at 100K | Descriptor: | 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, SULFATE ION, ... | Authors: | Blanchard, H. | Deposit date: | 2007-03-09 | Release date: | 2008-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein Glycobiology, 19, 2009
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2Z9I
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![BU of 2z9i by Molmil](/molmil-images/mine/2z9i) | |
3D3M
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![BU of 3d3m by Molmil](/molmil-images/mine/3d3m) | |
3SIS
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![BU of 3sis by Molmil](/molmil-images/mine/3sis) | |
3SIT
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![BU of 3sit by Molmil](/molmil-images/mine/3sit) | |
3G45
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![BU of 3g45 by Molmil](/molmil-images/mine/3g45) | |
3G4G
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![BU of 3g4g by Molmil](/molmil-images/mine/3g4g) | |
3G4L
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![BU of 3g4l by Molmil](/molmil-images/mine/3g4l) | Crystal structure of human phosphodiesterase 4d with roflumilast | Descriptor: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | Authors: | Staker, B.L. | Deposit date: | 2009-02-03 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat.Biotechnol., 28, 2010
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3G58
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![BU of 3g58 by Molmil](/molmil-images/mine/3g58) | Crystal structure of human phosphodiesterase 4d with d155988/pmnpq | Descriptor: | 1,2-ETHANEDIOL, 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ... | Authors: | Staker, B.L. | Deposit date: | 2009-02-04 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat.Biotechnol., 28, 2010
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