6O7R
 
 | | Nitrogenase MoFeP mutant F99Y, S188A from Azotobacter vinelandii in the dithionite reduced state | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Rutledge, H.L, Williamson, L.M, Tezcan, F.A. | | Deposit date: | 2019-03-08 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
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8SYJ
 | | Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Iodide crystal form) | | Descriptor: | GLYCEROL, IODIDE ION, SULFATE ION, ... | | Authors: | Eckenroth, B.E, Gardner, A.F, Doublie, S. | | Deposit date: | 2023-05-25 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
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7PLZ
 | | Cryo-EM structure of the actomyosin-V complex in the rigor state (central 3er/2er, young JASP-stabilized F-actin) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Sweeney, H.L, Houdusse, A, Raunser, S. | | Deposit date: | 2021-09-01 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Elife, 10, 2021
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5LKY
 | | X-ray crystal structure of N-acetylneuraminic acid lyase in complex with pyruvate, with the phenylalanine at position 190 replaced with the non-canonical amino acid dihydroxypropylcysteine. | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-acetylneuraminate lyase | | Authors: | Windle, C.L, Trinh, C.H, Pearson, A.R, Nelson, A.S, Berry, A. | | Deposit date: | 2016-07-25 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Extending enzyme molecular recognition with an expanded amino acid alphabet.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8E1C
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7PMJ
 | | Cryo-EM structure of the actomyosin-V complex in the post-rigor transition state (AppNHp, central 1er, class 6) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Sweeney, H.L, Houdusse, A, Raunser, S. | | Deposit date: | 2021-09-02 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Elife, 10, 2021
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7PM6
 | | Cryo-EM structure of the actomyosin-V complex in the strong-ADP state (central 3er/2er) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Sweeney, H.L, Houdusse, A, Raunser, S. | | Deposit date: | 2021-09-02 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Elife, 10, 2021
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5M0D
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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7B68
 | | Crystal structure of MurE from E.coli in complex with Z57299526 | | Descriptor: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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6XPM
 | | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature | | Descriptor: | Lysophospholipase L1, SODIUM ION | | Authors: | Kim, Y, Johnson, J, Welk, L, Endres, M, Levens, A, Sherrell, D.A, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature
To Be Published
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7NAA
 | | Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain | | Descriptor: | (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase | | Authors: | Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-21 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
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5IZJ
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 | | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ... | | Authors: | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | | Deposit date: | 2016-03-25 | | Release date: | 2016-07-20 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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7SCO
 | | Structure of H1 influenza hemagglutinin bound to Fab 310-39G10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 310-39G10 Fab, ... | | Authors: | Torrents de la Pena, A, Ward, A.B. | | Deposit date: | 2021-09-28 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Allelic polymorphism controls autoreactivity and vaccine elicitation of human broadly neutralizing antibodies against influenza virus.
Immunity, 55, 2022
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7B35
 | | MST3 in complex with compound MRIA13 | | Descriptor: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.40005136 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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8SOQ
 | | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD | | Descriptor: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | | Deposit date: | 2023-04-29 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
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6XVB
 | | Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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8C7U
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6UNA
 | | Crystal structure of inactive p38gamma | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 12, SULFATE ION | | Authors: | Aoto, P.C, Stanfield, R.L, Wilson, I.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2019-10-11 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | A Dynamic Switch in Inactive p38 gamma Leads to an Excited State on the Pathway to an Active Kinase.
Biochemistry, 58, 2019
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5LIN
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5J7N
 | | Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high order structure | | Descriptor: | Low molecular weight heat shock protein | | Authors: | Fonseca, E.M.B, Scorsato, V, dos Santos, C.A, Tomazini Jr, A, Aparicio, R, Polikarpov, I. | | Deposit date: | 2016-04-06 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high-order structure.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5LKX
 | | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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7AGM
 | | Crystal structure of the N-acetylmuramyl-L-alanine amidase, Ami1, from Mycobacterium smegmatis | | Descriptor: | N-acetylmuramoyl-L-alanine amidase, ZINC ION | | Authors: | Blaise, M, Alsarraf, M.A.B. | | Deposit date: | 2020-09-23 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Functional Characterization of the N -Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus .
Cells, 9, 2020
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5LUE
 | | Minor form of the recombinant cytotoxin-1 from N. oxiana | | Descriptor: | VC-1=CYTOTOXIN | | Authors: | Dubovskii, P.V, Dubinnyi, M.A, Shulepko, M.A, Lyukmanova, E.N, Dolgikh, D.A, Kirpichnikov, M.P, Efremov, R.G. | | Deposit date: | 2016-09-08 | | Release date: | 2017-09-20 | | Last modified: | 2019-05-08 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They?
Biochemistry, 56, 2017
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5LLB
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6OF7
 | | Crystal structure of the CRY1-PER2 complex | | Descriptor: | Cryptochrome-1, Period circadian protein homolog 2 | | Authors: | Michael, A.K, Fribourgh, J.L, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2019-03-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Dynamics at the serine loop underlie differential affinity of cryptochromes for CLOCK:BMAL1 to control circadian timing.
Elife, 9, 2020
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