2QS3
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![BU of 2qs3 by Molmil](/molmil-images/mine/2qs3) | Crystal structure of the GluR5 ligand binding core dimer in complex with UBP316 at 1.76 Angstroms resolution | Descriptor: | 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid, CHLORIDE ION, Glutamate receptor, ... | Authors: | Alushin, G.M, Jane, D.E, Mayer, M.L. | Deposit date: | 2007-07-30 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | ACET is a highly potent and specific kainate receptor antagonist: characterisation and effects on hippocampal mossy fibre function. Neuropharmacology, 56, 2009
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7ZKU
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![BU of 7zku by Molmil](/molmil-images/mine/7zku) | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP) | Descriptor: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one, Stimulator of interferon protein | Authors: | Klima, M, Smola, M, Boura, E. | Deposit date: | 2022-04-13 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP) To Be Published
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7ZVK
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![BU of 7zvk by Molmil](/molmil-images/mine/7zvk) | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP) | Descriptor: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon protein | Authors: | Klima, M, Smola, M, Boura, E. | Deposit date: | 2022-05-16 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP) To Be Published
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6Y1W
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![BU of 6y1w by Molmil](/molmil-images/mine/6y1w) | Xcc4156, a flavin-dependent halogenase from Xanthomonas campestris | Descriptor: | (2S,3S)-butane-2,3-diol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L(+)-TARTARIC ACID, ... | Authors: | Widmann, C, Ismail, M, Sewald, N, Niemann, H.H. | Deposit date: | 2020-02-14 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of apo flavin-dependent halogenase Xcc4156 hints at a reason for cofactor-soaking difficulties. Acta Crystallogr D Struct Biol, 76, 2020
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2QXZ
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![BU of 2qxz by Molmil](/molmil-images/mine/2qxz) | pectate lyase R236F from Xanthomonas campestris | Descriptor: | PHOSPHATE ION, pectate lyase II | Authors: | Garron, M.L, Shaya, D. | Deposit date: | 2007-08-13 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Improvement of the thermostability and activity of a pectate lyase by single amino acid substitutions, using a strategy based on melting-temperature-guided sequence alignment. Appl.Environ.Microbiol., 74, 2008
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2R9W
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![BU of 2r9w by Molmil](/molmil-images/mine/2r9w) | AmpC beta-lactamase with bound Phthalamide inhibitor | Descriptor: | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Babaoglu, K, Shoichet, B.K. | Deposit date: | 2007-09-13 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
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8J9C
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![BU of 8j9c by Molmil](/molmil-images/mine/8j9c) | Crystal structure of M61 peptidase (apo-form) from Xanthomonas campestris | Descriptor: | GLYCEROL, Putative glycyl aminopeptidase, SODIUM ION, ... | Authors: | Yadav, P, Kumar, A, Jamdar, S.N, Makde, R.D. | Deposit date: | 2023-05-03 | Release date: | 2024-05-01 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a newly identified M61 family aminopeptidase with broad substrate specificity that is solely responsible for recycling acidic amino acids. Febs J., 291, 2024
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8J9D
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![BU of 8j9d by Molmil](/molmil-images/mine/8j9d) | Crystal structure of M61 peptidase (bestatin-bound) from Xanthomonas campestris | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Yadav, P, Kumar, A, Kulkarni, B.S, Jamdar, S.N, Makde, R.D. | Deposit date: | 2023-05-03 | Release date: | 2024-05-01 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a newly identified M61 family aminopeptidase with broad substrate specificity that is solely responsible for recycling acidic amino acids. Febs J., 291, 2024
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1NAN
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![BU of 1nan by Molmil](/molmil-images/mine/1nan) | MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. | Deposit date: | 2002-11-28 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CDR3 loop flexibility contributes to the degeneracy of TCR recognition Nat.Immunol., 4, 2003
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1N86
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![BU of 1n86 by Molmil](/molmil-images/mine/1n86) | Crystal structure of human D-dimer from cross-linked fibrin complexed with GPR and GHRPLDK peptide ligands. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Fibrin alpha/alpha-E chain, ... | Authors: | Yang, Z, Pandi, L, Doolittle, R.F. | Deposit date: | 2002-11-19 | Release date: | 2003-01-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of fragment double-D from cross-linked lamprey fibrin reveals isopeptide linkages across an unexpected D-D interface. Biochemistry, 41, 2002
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6SUK
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![BU of 6suk by Molmil](/molmil-images/mine/6suk) | Crystal structure of Neprilysin in complex with Omapatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2019-09-15 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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7BNR
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![BU of 7bnr by Molmil](/molmil-images/mine/7bnr) | |
7BNK
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![BU of 7bnk by Molmil](/molmil-images/mine/7bnk) | |
4FAT
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![BU of 4fat by Molmil](/molmil-images/mine/4fat) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Maclean, J.K.F, Kazemier, B. | Deposit date: | 2012-05-22 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Functional analysis of a novel positive allosteric modulator of AMPA receptors derived from a structure-based drug design strategy. Neuropharmacology, 64, 2013
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7P08
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![BU of 7p08 by Molmil](/molmil-images/mine/7p08) | |
8B8F
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![BU of 8b8f by Molmil](/molmil-images/mine/8b8f) | Atomic structure of the beta-trefoil domain of the Laccaria bicolor lectin LBL in complex with lactose | Descriptor: | N-terminal beta-trefoil domain of the lectin LBL from Laccaria bicolor, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | Deposit date: | 2022-10-04 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor. Int.J.Biol.Macromol., 233, 2023
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3S97
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![BU of 3s97 by Molmil](/molmil-images/mine/3s97) | PTPRZ CNTN1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Bouyain, S. | Deposit date: | 2011-05-31 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2971 Å) | Cite: | A complex between contactin-1 and the protein tyrosine phosphatase PTPRZ controls the development of oligodendrocyte precursor cells. Proc.Natl.Acad.Sci.USA, 108, 2011
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7JXH
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![BU of 7jxh by Molmil](/molmil-images/mine/7jxh) | HER2 in complex with JBJ-08-178-01 | Descriptor: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide, Receptor tyrosine-protein kinase erbB-2 | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2020-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | A Novel HER2-Selective Kinase Inhibitor Is Effective in HER2 Mutant and Amplified Non-Small Cell Lung Cancer. Cancer Res., 82, 2022
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2UZA
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![BU of 2uza by Molmil](/molmil-images/mine/2uza) | CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM DESULFOVIBRIO AFRICANUS | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Chabriere, E, Cavazza, C, Contreras-Martel, C, Fontecilla-Camps, J.C. | Deposit date: | 2007-04-27 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Flexibility of thiamine diphosphate revealed by kinetic crystallographic studies of the reaction of pyruvate-ferredoxin oxidoreductase with pyruvate. Structure, 14, 2006
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7M90
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![BU of 7m90 by Molmil](/molmil-images/mine/7m90) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 50 | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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7M8Y
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![BU of 7m8y by Molmil](/molmil-images/mine/7m8y) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 15 | Descriptor: | 3C-like proteinase, 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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7M8O
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![BU of 7m8o by Molmil](/molmil-images/mine/7m8o) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 19 | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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7M91
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![BU of 7m91 by Molmil](/molmil-images/mine/7m91) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 25 | Descriptor: | 3C-like proteinase, 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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7M8M
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![BU of 7m8m by Molmil](/molmil-images/mine/7m8m) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 11 | Descriptor: | 3C-like proteinase, 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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7M8P
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![BU of 7m8p by Molmil](/molmil-images/mine/7m8p) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23 | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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