7WCD
 
 | | Cryo EM structure of SARS-CoV-2 spike in complex with TAU-2212 mAbs in conformation 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ... | | Authors: | Xiang, Y, Ma, B, Li, R. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-10 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Conformational flexibility in neutralization of SARS-CoV-2 by naturally elicited anti-SARS-CoV-2 antibodies.
Commun Biol, 5, 2022
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6HWV
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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6HMP
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, PHOSPHATE ION | | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | Deposit date: | 2018-09-12 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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6HMR
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID | | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | Deposit date: | 2018-09-12 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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6HWT
 | | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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1XR4
 | | X-ray crystal structure of putative citrate lyase alpha chain/citrate-ACP transferase [Salmonella typhimurium] | | Descriptor: | putative citrate lyase alpha chain/citrate-ACP transferase | | Authors: | Osipiuk, J, Quartey, P, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-10-13 | | Release date: | 2004-11-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | X-ray crystal structure of putative citrate lyase alpha chain/citrate-ACP transferase from Salmonella typhimurium.
To be Published
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5O4X
 | | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | | Descriptor: | Lysozyme C | | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | | Deposit date: | 2017-05-31 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
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5O4W
 | | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | | Descriptor: | Lysozyme C | | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | | Deposit date: | 2017-05-31 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
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6HWU
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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2CLW
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8VB1
 | | Crystal structure of HIV-1 protease with GS-9770 | | Descriptor: | (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease | | Authors: | Lansdon, E.B. | | Deposit date: | 2023-12-11 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
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3VB3
 | | Crystal structure of SARS-CoV 3C-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, DI(HYDROXYETHYL)ETHER | | Authors: | Chuck, C.P, Wong, K.B. | | Deposit date: | 2011-12-31 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
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3VB5
 | | Crystal structure of SARS-CoV 3C-like protease with C4Z | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, C4Z inhibitor | | Authors: | Chuck, C.P, Wong, K.B. | | Deposit date: | 2011-12-31 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
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4LEB
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4LEE
 | | Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F | | Descriptor: | Agglutinin-like protein 3 | | Authors: | Lin, J, Garnett, J.A, Cota, E. | | Deposit date: | 2013-06-25 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Peptide-binding Cavity Is Essential for Als3-mediated Adhesion of Candida albicans to Human Cells.
J.Biol.Chem., 289, 2014
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6EDX
 | | Crystal Structure of SGK3 PX domain | | Descriptor: | GLYCEROL, Serine/threonine-protein kinase Sgk3 | | Authors: | Chandra, M, Collins, B.M. | | Deposit date: | 2018-08-12 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
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6RPE
 | | Structure of 5% reduced KpDyP in complex with cyanide | | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | | Deposit date: | 2019-05-14 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
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6RR5
 | | Structure of 50% reduced KpDyP | | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | | Deposit date: | 2019-05-17 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
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6EJG
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6RPD
 | | Structure of ferrous KpDyP in complex with cyanide | | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | | Deposit date: | 2019-05-14 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
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8KA8
 | | Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with golden hamster ACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F. | | Deposit date: | 2023-08-02 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
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8KC2
 | | Cryo-EM structure of SARS-CoV-2 BA.3 RBD in complex with golden hamster ACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F. | | Deposit date: | 2023-08-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
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6WZO
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6WZQ
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7ADV
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v) | | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Pye, V.E, Cherepanov, P. | | Deposit date: | 2020-09-16 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Acs Infect Dis., 7, 2021
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