8ET8
| Cryo-EM structure of the organic cation transporter 1 in complex with verapamil | Descriptor: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OCT1 | Authors: | Suo, Y, Wright, N.J, Lee, S.-Y. | Deposit date: | 2022-10-16 | Release date: | 2023-05-31 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2. Nat.Struct.Mol.Biol., 30, 2023
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3GNO
| Crystal Structure of a Rice Os3BGlu6 Beta-Glucosidase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Os03g0212800 protein | Authors: | Seshadri, S, Akiyama, T, Opassiri, R, Kuaprasert, B, Cairns, J.R.K. | Deposit date: | 2009-03-17 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural and enzymatic characterization of Os3BGlu6, a rice {beta}-glucosidase hydrolyzing hydrophobic glycosides and (1->3)- and (1->2)-linked disaccharides. Plant Physiol., 2009
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8ET9
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4CXR
| Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine | Descriptor: | 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ... | Authors: | Dai, R, Geders, T.W, Finzel, B.C. | Deposit date: | 2014-04-08 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides. Chembiochem, 15, 2014
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8F5T
| Rabbit muscle pyruvate kinase in complex with sodium and magnesium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Holyoak, T, Fenton, A.W. | Deposit date: | 2022-11-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes. Database (Oxford), 2023, 2023
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6M8P
| Human ERAP1 bound to phosphinic pseudotripeptide inhibitor DG013 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide, ... | Authors: | Maben, Z, Stern, L.J. | Deposit date: | 2018-08-22 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism. Nat Commun, 12, 2021
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8F6M
| Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex. | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ... | Authors: | Holyoak, T, Fenton, A.W. | Deposit date: | 2022-11-16 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes. Database (Oxford), 2023, 2023
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3GYY
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8EX4
| Human S1P transporter Spns2 in an inward-facing open conformation (state 1) | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | Deposit date: | 2022-10-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
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8EX7
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8ET6
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6LTJ
| Structure of nucleosome-bound human BAF complex | Descriptor: | AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ... | Authors: | He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y. | Deposit date: | 2020-01-22 | Release date: | 2020-02-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of nucleosome-bound human BAF complex. Science, 367, 2020
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3VIS
| Crystal structure of cutinase Est119 from Thermobifida alba AHK119 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Esterase | Authors: | Kitadokoro, K, Thumarat, U, Nakamura, R, Nishimura, K, Karatani, H, Suzuki, H, Kawai, F. | Deposit date: | 2011-10-11 | Release date: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of cutinase Est119 from Thermobida alba AHK119 that can degrade modpolyethylene terephthalate at 1.76 A resolution. POLYM.DEGRAD.STAB., 97, 2012
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5XLS
| Crystal structure of UraA in occluded conformation | Descriptor: | 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease | Authors: | Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N. | Deposit date: | 2017-05-11 | Release date: | 2017-07-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters Cell Res., 27, 2017
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5XM3
| Crystal Structure of Methanol dehydrogenase from Methylophaga aminisulfidivorans | Descriptor: | Glucose dehydrogenase, MAGNESIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, ... | Authors: | Cao, T.P, Choi, J.M, Lee, S.H. | Deposit date: | 2017-05-12 | Release date: | 2018-03-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | The crystal structure of methanol dehydrogenase, a quinoprotein from the marine methylotrophic bacterium Methylophaga aminisulfidivorans MPT J. Microbiol., 56, 2018
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4CPI
| streptavidin A86D mutant with love-hate ligand 4 | Descriptor: | 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | Deposit date: | 2014-02-06 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction. Bioorg.Med.Chem., 22, 2014
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3L73
| Cytochrome BC1 complex from chicken with triazolone inhibitor | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, CARDIOLIPIN, ... | Authors: | Huang, L, Berry, E.A. | Deposit date: | 2009-12-27 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors. To be Published
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3GQH
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8EX8
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8ESM
| Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor | Descriptor: | Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid | Authors: | Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. | Deposit date: | 2022-10-14 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis. Nat Commun, 14, 2023
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5X79
| Human GST Pi conjugated with novel inhibitor, GS-ESF | Descriptor: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | Authors: | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | Deposit date: | 2017-02-24 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1). Chem. Commun. (Camb.), 53, 2017
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8ETM
| Human triacylglycerol synthesizing enzyme DGAT1 in complex with DGAT1IN1 inhibitor | Descriptor: | Diacylglycerol O-acyltransferase 1, [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid | Authors: | Sui, X, Kun, W, Walther, T, Farese, R, Liao, M. | Deposit date: | 2022-10-17 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis. Nat Commun, 14, 2023
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3Q71
| Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose | Descriptor: | Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-04 | Release date: | 2011-01-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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3LGN
| Crystal structure of IsdI in complex with heme | Descriptor: | Heme-degrading monooxygenase isdI, MAGNESIUM ION, OXYGEN MOLECULE, ... | Authors: | Ukpabi, G.N, Murphy, M.E.P. | Deposit date: | 2010-01-20 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The IsdG-family of haem oxygenases degrades haem to a novel chromophore Mol.Microbiol., 75, 2010
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5XNN
| Structure of M-LHCII and CP24 complexes in the stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | Deposit date: | 2017-05-23 | Release date: | 2017-09-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex Science, 357, 2017
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