6CMH
 
 | | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | | Descriptor: | PROTEIN (ENDOTHELIN-1) | | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-29 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
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6HZW
 | | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL 2.22 resolution | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2018-10-24 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3ASO
 | | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 0.9 angstrom wavelength | | 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: | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2010-12-17 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase
Acta Crystallogr.,Sect.D, 67, 2011
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6COY
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5UUK
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6HLL
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994 | | Descriptor: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
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6CQL
 | | Crystal structure of F24 TCR -DR11-RQ13 peptide complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, F24 beta Chain, ... | | Authors: | Farenc, C, Gras, S, Rossjohn, J. | | Deposit date: | 2018-03-15 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
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6CQY
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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3AQP
 | | Crystal structure of SecDF, a translocon-associated membrane protein, from Thermus thrmophilus | | Descriptor: | Probable SecDF protein-export membrane protein | | Authors: | Tsukazaki, T, Mori, H, Echizen, Y, Ishitani, R, Fukai, S, Tanaka, T, Perederina, A, Vassylyev, D.G, Kohno, T, Ito, K, Nureki, O. | | Deposit date: | 2010-11-16 | | Release date: | 2011-05-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and function of a membrane component SecDF that enhances protein export
Nature, 474, 2011
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6PSX
 | | Cryo-EM structure of S. cerevisiae Drs2p-Cdc50p in the PI4P-activated form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | | Authors: | Bai, L, Li, H. | | Deposit date: | 2019-07-14 | | Release date: | 2019-09-25 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Autoinhibition and activation mechanisms of the eukaryotic lipid flippase Drs2p-Cdc50p.
Nat Commun, 10, 2019
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6PT3
 | | Crystal structure of the active delta opioid receptor in complex with the small molecule agonist DPI-287 | | Descriptor: | 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide, Delta opioid receptor | | Authors: | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | | Deposit date: | 2019-07-14 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
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6QKU
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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5UYN
 | | 70S ribosome bound with near-cognate ternary complex not base-paired to A site codon (Structure I-nc) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2017-02-24 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity
Nature, 546, 2017
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6I0D
 | | Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone | | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2018-10-25 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6HBY
 | | HLA class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope | | Descriptor: | 1,2-ETHANEDIOL, ARRPPLAELAALNLSGSRL 5T4 tumour epitope, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B, Rizkallah, P.J, Sewell, A.K, Cole, D.K, Godkin, A.J. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-14 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope.
J.Biol.Chem., 294, 2019
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7LBM
 | | Structure of the human Mediator-bound transcription pre-initiation complex | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Abdella, R, Talyzina, A, He, Y. | | Deposit date: | 2021-01-08 | | Release date: | 2021-03-24 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of the human Mediator-bound transcription preinitiation complex.
Science, 372, 2021
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5ULI
 | | Crystal Structure of mouse DXO in complex with (3'-NADP)+ and calcium ion | | Descriptor: | CALCIUM ION, Decapping and exoribonuclease protein, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Doamekpor, S.K, Tong, L. | | Deposit date: | 2017-01-24 | | Release date: | 2017-05-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 5' End Nicotinamide Adenine Dinucleotide Cap in Human Cells Promotes RNA Decay through DXO-Mediated deNADding.
Cell, 168, 2017
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3ASN
 | | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 1.7470 angstrom wavelength | | 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: | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2010-12-17 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase
Acta Crystallogr.,Sect.D, 67, 2011
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6PTT
 | | Soluble model of Arabidopsis thaliana CuA (Tt3LAt) | | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION | | Authors: | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
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6CQV
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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6HIN
 | | Mouse serotonin 5-HT3 receptor, serotonin-bound, F conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | | Authors: | Polovinkin, L, Neumann, E, Schoehn, G, Nury, H. | | Deposit date: | 2018-08-30 | | Release date: | 2018-11-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
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6HD9
 | | Crystal structure of the potassium channel MtTMEM175 with rubidium | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, RUBIDIUM ION, ... | | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | | Deposit date: | 2018-08-17 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
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6CZY
 | | Crystal structure of Arabidopsis thaliana phosphoserine aminotransferase isoform 1 (AtPSAT1) in complex with Pyridoxamine-5'-phosphate (PMP) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sekula, B, Ruszkowski, M, Dauter, Z. | | Deposit date: | 2018-04-09 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Analysis of Phosphoserine Aminotransferase (Isoform 1) FromArabidopsis thaliana- the Enzyme Involved in the Phosphorylated Pathway of Serine Biosynthesis.
Front Plant Sci, 9, 2018
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5UO1
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | Descriptor: | 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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6HJI
 | | Xray structure of GLIC in complex with crotonate | | Descriptor: | BUTENOIC ACID, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Fourati, Z, Delarue, M. | | Deposit date: | 2018-09-03 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel.
Acta Crystallogr D Struct Biol, 76, 2020
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