6QS5
 
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5JHL
 | | Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | | Descriptor: | Antibody Heavy chain, antibody Light chain, envelope protein | | Authors: | Dai, L, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2016-04-21 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
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6YTW
 | | CLK3 bound with benzothiazole Tg003 (Cpd 2) | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6FU6
 | | Phosphotriesterase PTE_C23_2 | | Descriptor: | FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Phosphotriesterase
PTE_A53_4
To Be Published
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6FN6
 | | Modifying region (DH-ER-KR) of an insect fatty acid synthase (FAS) | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Fatty acid synthase 1, ... | | Authors: | Benning, F.M.C, Bukhari, H.S.T, Jakob, R.P, Maier, T. | | Deposit date: | 2018-02-02 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Modifying region (DH-ER-KR) of an insect fatty acid synthase (FAS)
To Be Published
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8ANT
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6YVX
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287 | | Descriptor: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | | Authors: | Chowdhury, R, Banerji, B, Schofield, C.J. | | Deposit date: | 2020-04-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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6QU7
 | | Crystal structure of human DHODH in complex with BAY 2402234 | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Friberg, A, Gradl, S. | | Deposit date: | 2019-02-26 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Leukemia, 33, 2019
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5J9Y
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | | Descriptor: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | Authors: | Becker, C, Engel, J, Rauh, D. | | Deposit date: | 2016-04-11 | | Release date: | 2016-08-17 | | Last modified: | 2016-09-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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8AHX
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6QQD
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8U46
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8AM0
 | | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | | Descriptor: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Goncalves, M, Johnson, J.L, Roewer, K.M. | | Deposit date: | 2022-08-02 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.818 Å) | | Cite: | Epinephrine inhibits PI3K alpha via the Hippo kinases.
Cell Rep, 42, 2023
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6QQF
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6FRL
 | | BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Widmann, C, Neubauer, P.R, Sewald, N, Niemann, H.H. | | Deposit date: | 2018-02-16 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination.
PLoS ONE, 13, 2018
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6QNW
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5JN7
 | | Carbonic Anhydrase II In Complex WITH U-CH3 | | Descriptor: | 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | McKenna, R, Mboge, M.Y, Mahon, B.P. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.517 Å) | | Cite: | Carbonic Anhydrase II In Complex WITH U-CH3
To Be Published
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6Z38
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6Z37
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6QT1
 | | Radiation damage study on a 16mer DNA segment, structure at 0.48 MGy dose | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | | Deposit date: | 2019-02-22 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Radiation-damage investigation of a DNA 16-mer.
J.Synchrotron Radiat., 26, 2019
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5JEZ
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser | | Descriptor: | ACETATE ION, Met-Ala-Ser, Peptide deformylase, ... | | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | | Deposit date: | 2016-04-19 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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6Z6Y
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6G2G
 | | Fe-S assembly Cfd1 | | Descriptor: | Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Jeoung, J.H, Dobbek, H. | | Deposit date: | 2018-03-23 | | Release date: | 2019-01-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CKD
 | | Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p1 | | Descriptor: | OspTx2a-p1 | | Authors: | Sunanda, P, Krishnarjuna, B, Norton, R.S. | | Deposit date: | 2018-02-27 | | Release date: | 2019-02-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Identification, chemical synthesis, structure, and function of a new KV1 channel blocking peptide from Oulactis sp.
Peptide Science, 110, 2018
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6G2V
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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