7UW0
 
 | | Crystal structure of human ClpP protease in complex with TR-133 | | Descriptor: | 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
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7UVM
 | | Crystal structure of human ClpP protease in complex with TR-27 | | Descriptor: | (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
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7UVN
 | | Crystal structure of human ClpP protease in complex with TR-57 | | Descriptor: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
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5LFU
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7VLJ
 | | Crystal structure of Entamoeba histolytica serine protease inhibitor, Histopin, in the cleaved conformation | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, POTASSIUM ION, ... | | Authors: | Ali, M.F, Devi, S, Gourinath, S. | | Deposit date: | 2021-10-03 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of Entamoeba histolytica serine protease inhibitor, Histopin, in the cleaved conformation
To Be Published
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5LJ5
 | | Overall structure of the yeast spliceosome immediately after branching. | | Descriptor: | CWC15, CWC22, Exon 1 (5' exon) of UBC4 pre-mRNA, ... | | Authors: | Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K. | | Deposit date: | 2016-07-17 | | Release date: | 2016-08-31 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
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7TPS
 | | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
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8D5K
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8D5E
 | | The complex of Gtf2b Peptide TGAASFDEF Presented by H2-Dd | | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | | Authors: | Custodio, J.M.F, Baker, B.M. | | Deposit date: | 2022-06-04 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural and physical features that distinguish tumor-controlling from inactive cancer neoepitopes.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8D5F
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8D5J
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5ZVP
 | | Aspergillus fumigatus Rho1 F25N | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ... | | Authors: | Wei, W.F, Van Aalten, D.M.F. | | Deposit date: | 2018-05-12 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Aspergillus fumigateurs Rho1 F25N
To Be Published
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8DSO
 | | Structure of cIAP1, BTK and BCCov | | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ... | | Authors: | Schiemer, J.S, Calabrese, M.F. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.334 Å) | | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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8DSF
 | | Structure of cIAP1 with BCCov | | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Schiemer, J.S, Calabrese, M.F. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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6BG9
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6BHV
 | | Human PARP-1 bound to NAD+ analog benzamide adenine dinucleotide (BAD) | | Descriptor: | Poly [ADP-ribose] polymerase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Authors: | Pascal, J.M, Langelier, M.F. | | Deposit date: | 2017-10-31 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NAD+analog reveals PARP-1 substrate-blocking mechanism and allosteric communication from catalytic center to DNA-binding domains.
Nat Commun, 9, 2018
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6BNX
 | | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3) | | Descriptor: | COBALT (II) ION, Lactoylglutathione lyase | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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8FHL
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8FHU
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6BBA
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6B60
 | | IMPase (AF2372) with 25 mM Glutamate | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, GLUTAMIC ACID, ... | | Authors: | Goldstein, R.I, Roberts, M.F. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
To Be Published
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6BNZ
 | | Crystal structure of E144Q-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 | | Descriptor: | COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ... | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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6C73
 | | Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site.
To be Published
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6BNN
 | | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 | | Descriptor: | COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ... | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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6WTD
 | | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of Bedaquiline bound | | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | | Authors: | Mueller, D.M, Srivastava, A.P, Symersky, J, Luo, M, Liao, M.F. | | Deposit date: | 2020-05-02 | | Release date: | 2020-08-26 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Bedaquiline inhibits the yeast and human mitochondrial ATP synthases.
Commun Biol, 3, 2020
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