6R27
 
 | | Crystallographic superstructure of the photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein | | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | | Deposit date: | 2019-03-15 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
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4I3H
 | | A three-gate structure of topoisomerase IV from Streptococcus pneumoniae | | Descriptor: | DNA (5'-D(*CP*AP*AP*AP*GP*GP*CP*GP*GP*TP*AP*AP*TP*AP*CP*GP*GP*TP*TP*AP*TP*CP*CP*AP*CP*AP*GP*AP*AP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*TP*TP*CP*TP*GP*TP*GP*GP*AP*TP*AP*AP*CP*CP*GP*TP*AP*TP*TP*AP*CP*CP*GP*CP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2012-11-26 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport.
Nucleic Acids Res., 41, 2013
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6APG
 | | Trans-acting transferase from Disorazole synthase with malonate | | Descriptor: | CALCIUM ION, DisD protein, GLYCEROL, ... | | Authors: | Mathews, I.I, Lyubimov, A.Y, Soltis, S.M, Khosla, C, Robbins, T, Cohen, A.E. | | Deposit date: | 2017-08-17 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
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1MRW
 | | Structure of HIV protease (Mutant Q7K L33I L63I) complexed with KNI-577 | | Descriptor: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein | | Authors: | Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E. | | Deposit date: | 2002-09-18 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
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1QRJ
 | | Solution structure of htlv-i capsid protein | | Descriptor: | HTLV-I CAPSID PROTEIN | | Authors: | Khorasanizadeh, S, Campos-Olivas, R, Clark, C.A, Summers, M.F. | | Deposit date: | 1999-06-14 | | Release date: | 1999-07-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Sequence-specific 1H, 13C and 15N chemical shift assignment and secondary structure of the HTLV-I capsid protein.
J.Biomol.NMR, 14, 1999
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7Z7P
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7Z7O
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8EXL
 | | Crystal structure of PI3K-alpha in complex with taselisib | | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXO
 | | Crystal structure of PI3K-alpha in complex with compound 19 | | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXU
 | | Crystal structure of PI3K-alpha in complex with compound 30 | | Descriptor: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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8EXV
 | | Crystal structure of PI3K-alpha in complex with compound 32 | | Descriptor: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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7Z7Q
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6PIS
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3G65
 | | Crystal Structure of the Human Rad9-Rad1-Hus1 DNA Damage Checkpoint Complex | | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1 | | Authors: | Dore, A.S, Kilkenny, M.L, Rzechorzek, N.J, Pearl, L.H. | | Deposit date: | 2009-02-06 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the rad9-rad1-hus1 DNA damage checkpoint complex--implications for clamp loading and regulation.
Mol.Cell, 34, 2009
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3GIT
 | | Crystal structure of a truncated acetyl-CoA synthase | | Descriptor: | Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, GLYCEROL, HYDROSULFURIC ACID, ... | | Authors: | Volbeda, A, Darnault, C, Fontecilla-Camps, J.C. | | Deposit date: | 2009-03-06 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Novel domain arrangement in the crystal structure of a truncated acetyl-CoA synthase from Moorella thermoacetica
Biochemistry, 48, 2009
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6P9B
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1RGT
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC | | Descriptor: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-12 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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6VO7
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7YV3
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7YV5
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7Z8Z
 | | Crystal structure of the MEILB2-BRME1 2:2 core complex | | Descriptor: | Break repair meiotic recombinase recruitment factor 1, Heat shock factor 2-binding protein | | Authors: | Gurusaran, M, Davies, O.R. | | Deposit date: | 2022-03-19 | | Release date: | 2023-09-20 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | MEILB2-BRME1 forms a V-shaped DNA clamp upon BRCA2-binding in meiotic recombination.
Nat Commun, 15, 2024
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1NX9
 | | Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin | | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase | | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2003-02-10 | | Release date: | 2004-03-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
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1SB1
 | | Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | | Descriptor: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ... | | Authors: | Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D. | | Deposit date: | 2004-02-09 | | Release date: | 2004-06-08 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
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6YA9
 | | Crystal structure of rsGCaMP in the ON state (non-illuminated) | | Descriptor: | CALCIUM ION, rsCGaMP | | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | Deposit date: | 2020-03-11 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 2021
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1MSN
 | | The HIV protease (mutant Q7K L33I L63I V82F I84V) complexed with KNI-764 (an inhibitor) | | Descriptor: | (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein | | Authors: | Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E. | | Deposit date: | 2002-09-19 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
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