5NPL
 
 | | Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria, Yb-derivative at 2.8 A resolution | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Similar to tr|Q8YYT1|Q8YYT1, YTTERBIUM (III) ION | | Authors: | Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S. | | Deposit date: | 2017-04-17 | | Release date: | 2018-05-30 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7JYE
 | | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | | Descriptor: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | Deposit date: | 2020-08-30 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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7JQ8
 | | Solution NMR structure of human Brd3 ET domain | | Descriptor: | Bromodomain-containing protein 3, Integrase peptide | | Authors: | Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T. | | Deposit date: | 2020-08-10 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
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7K7A
 | | Transmembrane structure of TNFR1 | | Descriptor: | Tumor necrosis factor receptor superfamily member 1A | | Authors: | Zhao, L, Chou, J. | | Deposit date: | 2020-09-22 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Diversity and Similarity of Transmembrane Trimerization of TNF Receptors.
Front Cell Dev Biol, 8, 2020
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7JYN
 | | Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide | | Descriptor: | Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 | | Authors: | Aiyer, S, Swapna, G.V.T, Roth, M.J, Montelione, G.T. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
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7L02
 | | Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound to one copy of domain-swapped antibody 2G12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2G12 heavy chain, ... | | Authors: | Manne, K, Henderson, R, Acharya, P. | | Deposit date: | 2020-12-10 | | Release date: | 2020-12-30 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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7L09
 | | Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound domain-swapped antibody 2G12 from masked 3D 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, 2G12 heavy chain, ... | | Authors: | Manne, K, Henderson, R, Acharya, P. | | Deposit date: | 2020-12-11 | | Release date: | 2020-12-30 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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5NG7
 | | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | | Deposit date: | 2017-03-17 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Front Bioeng Biotechnol, 6, 2018
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5NR8
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a | | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL | | Authors: | Podjarny, A, Fadel, F, Golebiowski, A. | | Deposit date: | 2017-04-22 | | Release date: | 2018-02-21 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
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5T9J
 | | Crystal Structure of human GEN1 in complex with Holliday junction DNA in the upper interface | | Descriptor: | DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3'), DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3'), ... | | Authors: | Lee, S.-H, Biertumpfel, C. | | Deposit date: | 2016-09-09 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.00012732 Å) | | Cite: | Human Holliday junction resolvase GEN1 uses a chromodomain for efficient DNA recognition and cleavage.
Elife, 4, 2015
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5WJF
 | | Crystal structure of murine 4-1BB from HEK293T cells in P21212 space group | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9 | | Authors: | Zajonc, D.M, Doukov, T, Bitra, A. | | Deposit date: | 2017-07-21 | | Release date: | 2017-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling.
J. Biol. Chem., 293, 2018
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6HMC
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | | Descriptor: | 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Dimper, V, Jose, J, Le Borgne, M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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6PAJ
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7T1I
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385597 | | Descriptor: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-02 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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7T1H
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU281445 | | Descriptor: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, Pantothenate kinase CAB1 | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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7T1G
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595 | | Descriptor: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine, Pantothenate kinase CAB1 | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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7L6O
 | | Cryo-EM structure of HIV-1 Env CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 - gp120, ... | | Authors: | Manne, K, Edwards, R.J, Acharya, P. | | Deposit date: | 2020-12-23 | | Release date: | 2021-04-14 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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7TZJ
 | | SARS CoV-2 PLpro in complex with inhibitor 3k | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ... | | Authors: | Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D. | | Deposit date: | 2022-02-15 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
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6PXG
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7S4V
 | | Cas9 bound to 12-14MM DNA, 60 min time-point, kinked conformation | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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7S4U
 | | Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target strand, Target strand, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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7S4X
 | | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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6HMB
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib) | | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, ... | | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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5NVD
 | | Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form | | Descriptor: | CBS-CP12 | | Authors: | Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S. | | Deposit date: | 2017-05-04 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6PXH
 | | Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFOLIC ACID, ... | | Authors: | Wang, N, McLellan, J.S. | | Deposit date: | 2019-07-26 | | Release date: | 2019-09-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
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