5N01
 
 | | Crystal structure of the decarboxylase AibA/AibB C56N variant | | Descriptor: | ACETATE ION, GLYCEROL, Glutaconate CoA-transferase family, ... | | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5UB4
 | |
7U5N
 | |
7Y24
 | | Cryo-EM structure of the octreotide-bound SSTR2-miniGo-scFv16 complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | | Authors: | Chen, S, Zheng, S. | | Deposit date: | 2022-06-09 | | Release date: | 2022-10-19 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Molecular basis for the selective G protein signaling of somatostatin receptors.
Nat.Chem.Biol., 19, 2023
|
|
8EIT
 | | Structure of FFAR1-Gq complex bound to DHA | | Descriptor: | A modified Guanine nucleotide-binding protein G(q) subunit alpha, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ... | | Authors: | Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M. | | Deposit date: | 2022-09-15 | | Release date: | 2023-05-24 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EJK
 | | Structure of FFAR1-Gq complex bound to TAK-875 in a lipid nanodisc | | Descriptor: | A modified Guanine nucleotide-binding protein G(q) subunit alpha, Free fatty acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M. | | Deposit date: | 2022-09-17 | | Release date: | 2023-05-24 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EJC
 | | Structure of FFAR1-Gq complex bound to TAK-875 | | Descriptor: | A modified Guanine nucleotide-binding protein G(q) subunit alpha, Free fatty acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M. | | Deposit date: | 2022-09-16 | | Release date: | 2023-05-24 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
1THL
 | | Thermolysin complexed with a novel glutaramide derivative, n-(1-(2(r,s)-carboxy-4-phenylbutyl) cyclopentylcarbonyl)-(s)-tryptophan | | Descriptor: | CALCIUM ION, N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan, THERMOLYSIN, ... | | Authors: | Holland, D.R, Matthews, B.W. | | Deposit date: | 1993-11-17 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Thermolysin and Neutral Endopeptidase 24.11 By a Novel Glutaramide Derivative; X-Ray Structure Determination of the Thermolysin-Inhibitor Complex
Biochemistry, 33, 1994
|
|
5XLN
 | |
7W3E
 | | Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2021-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
|
|
4JVE
 | | Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid | | Descriptor: | (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
|
|
5THI
 | | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | | Authors: | Dick, B, Cohen, S. | | Deposit date: | 2016-09-29 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
|
|
5TI0
 | | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Dick, B, Cohen, S. | | Deposit date: | 2016-09-30 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
|
|
1QVS
 | | Crystal Structure of Haemophilus influenzae H9A mutant Holo Ferric ion-Binding Protein A | | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION | | Authors: | Shouldice, S.R, Skene, R.J, Dougan, D.R, McRee, D.E, Tari, L.W, Schryvers, A.B. | | Deposit date: | 2003-08-28 | | Release date: | 2003-11-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Presence of ferric hydroxide clusters in mutants of Haemophilus influenzae ferric ion-binding protein A
Biochemistry, 42, 2003
|
|
5OVT
 | | Thiobacillus denitrificans BPH in complex with Epoxomicin | | Descriptor: | BPH, Epoxomicin, PHOSPHATE ION | | Authors: | Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D. | | Deposit date: | 2017-08-29 | | Release date: | 2017-12-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties.
J. Biol. Chem., 293, 2018
|
|
7CMS
 | | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin | | Descriptor: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, PHOSPHATE ION, Tryptophan--tRNA ligase | | Authors: | Lyu, G, Fan, S, Jin, Y, Zou, S, Wu, G, Yang, Z. | | Deposit date: | 2020-07-28 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the specific interaction between Geobacillus stearothermophilus tryptophanyl-tRNA synthetase and antimicrobial Chuangxinmycin.
J.Biol.Chem., 298, 2022
|
|
5FA5
 | |
1L9E
 | | Role of Histidine 269 in Catalysis by Monomeric Sarcosine Oxidase | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Zhao, G, Song, H, Chen, Z.-w, Mathews, F.S, Jorns, M.S. | | Deposit date: | 2002-03-22 | | Release date: | 2002-08-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Monomeric sarcosine oxidase: role of histidine 269 in catalysis.
Biochemistry, 41, 2002
|
|
4HBM
 | | Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid | | Authors: | Huang, X. | | Deposit date: | 2012-09-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
|
|
5DAF
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | | Descriptor: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1 | | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
|
|
4JWR
 | |
1PYN
 | | DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE | | Descriptor: | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Zhonghua, P, Lubben, T, Trevillyan, J.M, Stashko, M, Ballaron, S.J, Liang, H. | | Deposit date: | 2003-07-09 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003
|
|
2Q70
 | | Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand | | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | | Authors: | Wang, Y. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
5XTU
 | | Crystal Structure of GDSL Esterase of Photobacterium sp. J15 | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Mazlan, S.N.H.S, Jonet, M.A, Leow, T.C, Ali, M.S.M, Rahman, R.N.Z.R.A. | | Deposit date: | 2017-06-21 | | Release date: | 2018-10-10 | | Last modified: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystallization and structure elucidation of GDSL esterase of Photobacterium sp. J15.
Int. J. Biol. Macromol., 119, 2018
|
|
3I0K
 | | Crystal structure of GTB C80S/C196S/C209S + UDP + H antigen | | Descriptor: | ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
|
|
