8A5J
 
 | | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-06-15 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.123 Å) | | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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7O4N
 | | Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylmethionine | | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (Adenine(22)-N(1))-methyltransferase | | Authors: | Gloster, T.M, Czekster, C.M, da Silva, R.G. | | Deposit date: | 2021-04-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
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7O4M
 | | Structure of Staphylococcus aureus m1A22-tRNA methyltransferase | | Descriptor: | CITRIC ACID, GLYCEROL, tRNA (Adenine(22)-N(1))-methyltransferase | | Authors: | Gloster, T.M, Czekster, C.M, da Silva, R.G. | | Deposit date: | 2021-04-06 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
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6V3X
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8A66
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, SODIUM ION, Serine/threonine-protein kinase 3 36kDa subunit | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L, Weber, C. | | Deposit date: | 2022-06-16 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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6V3Y
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7ZQQ
 | | Molybdenum storage protein - LB131H | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ermler, U, Aziz, I. | | Deposit date: | 2022-05-02 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates.
J.Inorg.Biochem., 234, 2022
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6YXR
 | | Dunaliella Minimal Photosystem I | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | | Authors: | Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y. | | Deposit date: | 2020-05-03 | | Release date: | 2020-07-01 | | Last modified: | 2020-07-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Biochim Biophys Acta Bioenerg, 1861, 2020
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7ZR4
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7ZSE
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6ZB5
 | | SARS CoV-2 Spike protein, Closed conformation, C3 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2020-06-07 | | Release date: | 2020-09-30 | | Last modified: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
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6ZB4
 | | SARS CoV-2 Spike protein, Closed conformation, C1 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-30 | | Last modified: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
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6Z3T
 | | Structure of canine Sec61 inhibited by mycolactone | | Descriptor: | Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, Protein transport protein Sec61 subunit gamma, ... | | Authors: | Gerard, S.F, Higgins, M.K. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structure of the Inhibited State of the Sec Translocon.
Mol.Cell, 79, 2020
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7ZKH
 | | C-Methyltransferase PsmD from Streptomyces griseofuscus with bound cofactor (crystal form 1) | | Descriptor: | Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, TRIETHYLENE GLYCOL, ... | | Authors: | Weiergraeber, O.H, Amariei, D.A, Pozhydaieva, N, Pietruszka, J. | | Deposit date: | 2022-04-13 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enzymatic C3-Methylation of Indoles Using Methyltransferase PsmD-Crystal Structure, Catalytic Mechanism, and Preparative Applications
Acs Catalysis, 2022
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7QTG
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 | | Descriptor: | FE (II) ION, PlaO1, SULFATE ION | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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4X8K
 | | Mycobacterium tuberculosis RbpA-SID in complex with SigmaA domain 2 | | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor SigA, RNA polymerase-binding protein RbpA, ... | | Authors: | Hubin, E.A, Flack, J.E, Tabib-Salazar, A, Paget, M.S, Darst, S.A, Campbell, E.A. | | Deposit date: | 2014-12-10 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Structural, functional, and genetic analyses of the actinobacterial transcription factor RbpA.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5ZC2
 | | Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH), reductase component (C1) | | Descriptor: | FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, reductase component | | Authors: | Yuenyao, A, Petchyam, N, Chaiyen, P, Pakotiprapha, D. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.898 Å) | | Cite: | Crystal structure of the flavin reductase of Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH) and identification of amino acid residues underlying its regulation by aromatic ligands
Arch. Biochem. Biophys., 653, 2018
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7QTF
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate | | Descriptor: | ACETATE ION, MALONATE ION, PlaO1, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7QTD
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with iron and alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, FE (II) ION, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7OUI
 | | Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted) | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Graca, A.T, Hall, M, Persson, K, Schroder, W.P. | | Deposit date: | 2021-06-11 | | Release date: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
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7QTE
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with cobalt and succinate | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COBALT (II) ION, PlaO1, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7OX8
 | | Target-bound SpCas9 complex with TRAC full RNA guide | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | Deposit date: | 2021-06-22 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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7OXA
 | | Target-bound SpCas9 complex with AAVS1 chimeric RNA-DNA guide | | Descriptor: | AAVS1 non-target DNA strand, AAVS1 target DNA strand, CRISPR-associated endonuclease Cas9/Csn1, ... | | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | Deposit date: | 2021-06-22 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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6T5U
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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7OX7
 | | Target-bound SpCas9 complex with TRAC chimeric RNA-DNA guide | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | Deposit date: | 2021-06-22 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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