8BSK
 
 | | Human GLS in complex with compound 3 | | Descriptor: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
|
|
6YCF
 | | Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
|
|
3VEK
 | | Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P1 Crystal Form | | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), Erythroid transcription factor, ... | | Authors: | Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M. | | Deposit date: | 2012-01-09 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA.
Protein Sci., 24, 2015
|
|
3E43
 | | Q138F HincII bound to GTTAAC and cocrystallized with 2.5 mM MgCl2 | | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DTP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3', Type-2 restriction enzyme HindII, UNKNOWN ATOM OR ION | | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-08-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
|
|
8BSL
 | | Human GLS in complex with compound 12 | | Descriptor: | Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
|
|
5MTK
 | | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2017-01-09 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
|
|
1S9F
 | | DPO with AT matched | | Descriptor: | 2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3', 5'-D(*T*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Trincao, J, Johnson, R.E, Wolfle, W.T, Escalante, C.R, Prakash, S, Prakash, L, Aggarwal, A.K. | | Deposit date: | 2004-02-04 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dpo4 is hindered in extending a G.T mismatch by a reverse wobble
Nat.Struct.Mol.Biol., 11, 2004
|
|
8BSN
 | | Human GLS in complex with compound 27 | | Descriptor: | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
|
|
8RQU
 | | Structure of TEM1 beta-lactamase variant 70.a | | Descriptor: | Beta-lactamase TEM-1, MAGNESIUM ION | | Authors: | Napier, E, Fram, B.F, Gauthier, N.P, Sander, C, Khan, A.R. | | Deposit date: | 2024-01-19 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024
|
|
8GLD
 | |
8BSH
 | | COPII inner coat | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein transport protein SEC23, ... | | Authors: | Zanetti, G, Pyle, E.W. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A Bayesian approach to single-particle electron cryo-tomography in RELION-4.0.
Elife, 11, 2022
|
|
3E6S
 | |
6S8R
 | | D. melanogaster RNA helicase Me31B in complex with GIGYF | | Descriptor: | ACETATE ION, ATP-dependent RNA helicase me31b, GIGYF family protein CG11148 | | Authors: | Peter, D, Valkov, E. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Molecular basis for GIGYF-Me31B complex assembly in 4EHP-mediated translational repression.
Genes Dev., 33, 2019
|
|
8B58
 | |
1J2O
 | | Structure of FLIN2, a complex containing the N-terminal LIM domain of LMO2 and ldb1-LID | | Descriptor: | Fusion of Rhombotin-2 and LIM domain-binding protein 1, ZINC ION | | Authors: | Deane, J.E, Mackay, J.P, Kwan, A.H, Sum, E.Y, Visvader, J.E, Matthews, J.M. | | Deposit date: | 2003-01-08 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4
EMBO J., 22, 2003
|
|
5M8E
 | | Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142 | | Descriptor: | Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E. | | Deposit date: | 2016-10-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis.
FEBS J., 284, 2017
|
|
5MF2
 | | Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4 | | Descriptor: | CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
|
|
7E1I
 | |
8S51
 | | RNA polymerase II core initially transcribing complex with an ordered RNA of 8 nt | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Zhan, Y, Grabbe, F, Oberbeckmann, E, Dienemann, C, Cramer, P. | | Deposit date: | 2024-02-22 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Three-step mechanism of promoter escape by RNA polymerase II.
Mol.Cell, 84, 2024
|
|
8GL7
 | | AncAR1 - progesterone - Tif2 | | Descriptor: | Ancestral androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ... | | Authors: | Little, M.M, Ortlund, E.A. | | Deposit date: | 2023-03-21 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evolutionary tuning of a key helix drove androgen selectivity
To Be Published
|
|
6PLT
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with taurine in nanodisc, closed state | | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ... | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-01-06 | | Last modified: | 2021-07-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
|
|
4XQ4
 | | X-ray structure analysis of xylanase - N44D | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-19 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
1OIY
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2003-06-26 | | Release date: | 2004-07-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
|
|
2SN3
 | | STRUCTURE OF SCORPION TOXIN VARIANT-3 AT 1.2 ANGSTROMS RESOLUTION | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, SCORPION NEUROTOXIN (VARIANT 3) | | Authors: | Zhao, B, Carson, M, Ealick, S.E, Bugg, C.E. | | Deposit date: | 1992-02-20 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of scorpion toxin variant-3 at 1.2 A resolution.
J.Mol.Biol., 227, 1992
|
|
8BIG
 | | O-Methyltransferase Plu4895 in complex with SAH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
|
|
