6TVK
 
 | | Alpha-L-fucosidase isoenzyme 2 from Paenibacillus thiaminolyticus | | Descriptor: | Alpha-L-fucosidase, GLYCEROL, HEXATANTALUM DODECABROMIDE, ... | | Authors: | Kovalova, T, Koval, T, Lipovova, P, Dohnalek, J. | | Deposit date: | 2020-01-09 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The first structure-function study of GH151 alpha-l-fucosidase uncovers new oligomerization pattern, active site complementation, and selective substrate specificity
Febs J., 2022
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6PMU
 | | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae | | Descriptor: | Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
To Be Published
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8DKZ
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6ZRS
 | | Racemic compound of RNA duplexes. | | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | | Authors: | Rypniewski, W. | | Deposit date: | 2020-07-14 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice.
Nucleic Acids Res., 49, 2021
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8EBW
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6MAU
 | | Crystal structure of human BRD4(1) in complex with CN210 (compound 19) | | Descriptor: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2018-08-28 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
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7MP8
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6PN5
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6UNS
 | | Kinase domain of ALK2-K492A/K493A with LDN-193189 | | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1 | | Authors: | Agnew, C, Jura, N. | | Deposit date: | 2019-10-13 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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6ZTD
 | | Crystal structure of the BCR Fab fragment from subset #169 case P6540 | | Descriptor: | Heavy chain of the Fab fragment from BCR derived from the P6540 CLL clone, Light chain of the Fab fragment from BCR derived from the P6540 CLL clone | | Authors: | Carriles, A.A, Minici, C, Degano, M. | | Deposit date: | 2020-07-18 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Higher-order immunoglobulin repertoire restrictions in CLL: the illustrative case of stereotyped subsets 2 and 169.
Blood, 137, 2021
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7M78
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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6MAK
 | | HBO1 is required for the maintenance of leukaemia stem cells | | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | | Deposit date: | 2018-08-27 | | Release date: | 2019-12-25 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
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6TUY
 | | Human LSD1/CoREST bound to the quinazoline inhibitor MC4106 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mattevi, A, Marrocco, B. | | Deposit date: | 2020-01-08 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Eur.J.Med.Chem., 237, 2022
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8DQN
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6PAS
 | | Inactive State of Manduca sexta soluble guanylate cyclase | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Soluble guanylyl cyclase alpha-1 subunit, Soluble guanylyl cyclase beta-1 subunit | | Authors: | Yokom, A.L, Horst, B.G, Marletta, M.A, Hurley, J.H. | | Deposit date: | 2019-06-11 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Allosteric activation of the nitric oxide receptor soluble guanylate cyclase mapped by cryo-electron microscopy.
Elife, 8, 2019
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8E14
 | | Cryo-EM structure of Rous sarcoma virus strand transfer complex | | Descriptor: | DNA (42-MER), DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*TP*CP*TP*TP*CP*TP*TP*TP*C)-3'), ... | | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | | Deposit date: | 2022-08-09 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Molecular determinants for Rous sarcoma virus intasome assemblies involved in retroviral integration.
J.Biol.Chem., 299, 2023
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6MAT
 | | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Rix7 mutant, unknown protein | | Authors: | Lo, Y.H, Sobhany, M, Hsu, A.L, Ford, B.L, Krahn, J.M, Borgnia, M.J, Stanley, R.E. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7.
Nat Commun, 10, 2019
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6TW5
 | | Plasmodium vivax N-myristoyltransferase with bound indazole inhibitor IMP-917 | | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2020-01-12 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Plasmodium vivax N-myristoyltransferase with bound indazole inhibitor IMP-917
To Be Published
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7MEY
 | | Structure of yeast Ubr1 in complex with Ubc2 and monoubiquitinated N-degron | | Descriptor: | 2-(ethylamino)ethane-1-thiol, E3 ubiquitin-protein ligase UBR1, Monoubiquitinated N-degron, ... | | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-04-08 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
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7A9N
 | | Racemic compound of RNA duplexes. | | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | | Authors: | Rypniewski, W. | | Deposit date: | 2020-09-02 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice.
Nucleic Acids Res., 49, 2021
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8EBX
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6M8R
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7MP9
 | | Crystal structure of the cytosolic domain of Tribolium castaneum PINK1 phosphorylated at Ser205 in complex with ADP analog | | Descriptor: | AMP PHOSPHORAMIDATE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Rasool, S, Veyron, S, Trempe, J.F. | | Deposit date: | 2021-05-04 | | Release date: | 2021-12-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex.
Mol.Cell, 82, 2022
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6TW6
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7A1T
 | | A collapsed hexameric state of a de novo coiled-coil assembly: CC-Type2-(GgLaId)4-W19BrPhe. | | Descriptor: | ACETATE ION, CADMIUM ION, CC-Type2-(GgLaId)4-W19BrPhe, ... | | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-05-19 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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