7RAN
| 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | Descriptor: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ... | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2021-07-02 | Release date: | 2022-07-06 | Last modified: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity. Nature, 610, 2022
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6AOW
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6AOX
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6ELA
| Crystal structure of MMP12 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-09-28 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.485 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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8OF7
| Cyc15 Diels Alderase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R. | Deposit date: | 2023-03-14 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases. Chembiochem, 24, 2023
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3T25
| TMAO-grown orthorhombic trypsin (bovine) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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6AS8
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4DY8
| Interactions of Mn2+ with a non-self-complementary Z-type DNA duplex | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*TP*G)-3'), ... | Authors: | Mandal, P.K, Venkadesh, S, Gautham, N. | Deposit date: | 2012-02-28 | Release date: | 2012-11-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Interactions of Mn(2+) with a non-self-complementary Z-type DNA duplex Acta Crystallogr.,Sect.F, 68, 2012
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5COD
| Bovine heart complex I membrane domain | Descriptor: | NADH-ubiquinone oxidoreductase chain 4, NADH-ubiquinone oxidoreductase chain 5, SDAP, ... | Authors: | Zhu, J, Hirst, J, King, M.S, Yu, M, Leslie, A.G.W, Klipcan, L. | Deposit date: | 2015-07-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.74 Å) | Cite: | Structure of subcomplex I beta of mammalian respiratory complex I leads to new supernumerary subunit assignments. Proc.Natl.Acad.Sci.USA, 112, 2015
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1QZN
| Crystal Structure Analysis of a type II cohesin domain from the cellulosome of Acetivibrio cellulolyticus | Descriptor: | cellulosomal scaffoldin adaptor protein B | Authors: | Frolow, F, Noach, I, Rosenheck, S, Lamed, R, Qi, X, Shimon, L.J.W, Bayer, E.A. | Deposit date: | 2003-09-17 | Release date: | 2004-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a type-II cohesin module from the Bacteroides cellulosolvens cellulosome reveals novel and distinctive secondary structural elements. J.Mol.Biol., 348, 2005
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7E1L
| Crystal structure of apo form PhlH | Descriptor: | DUF1956 domain-containing protein | Authors: | Zhang, N, Wu, J, He, Y.X, Ge, H. | Deposit date: | 2021-02-01 | Release date: | 2022-02-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules. J.Biol.Chem., 298, 2022
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6ARO
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6B9E
| Human ATL1 mutant - R77A / F151S bound to GDP | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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7E1N
| Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol | Descriptor: | 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol, DUF1956 domain-containing protein | Authors: | Zhang, N, Wu, J, He, Y.X, Ge, H. | Deposit date: | 2021-02-02 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules. J.Biol.Chem., 298, 2022
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7AHP
| Crystal structure of Ixodes ricinus serpin - Iripin-3 | Descriptor: | Putative salivary serpin, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | Authors: | Kascakova, B, Kuta Smatanova, I, Prudnikova, T. | Deposit date: | 2020-09-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro Front Immunol, 12, 2021
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6AOY
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6B9D
| Human ATL1 mutant - R77A bound to GDP | Descriptor: | Atlastin-1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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2IY5
| PHENYLALANYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS complexed with tRNA and a phenylalanyl-adenylate analog | Descriptor: | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE], MAGNESIUM ION, PHENYLALANYL-TRNA SYNTHETASE ALPHA CHAIN, ... | Authors: | Moor, N, Kotik-Kogan, O, Tworowski, D, Sukhanova, M, Safro, M. | Deposit date: | 2006-07-12 | Release date: | 2006-09-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The crystal structure of the ternary complex of phenylalanyl-tRNA synthetase with tRNAPhe and a phenylalanyl-adenylate analogue reveals a conformational switch of the CCA end. Biochemistry, 45, 2006
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3T2A
| TMAO-grown cubic insulin (porcine) | Descriptor: | Insulin A chain, Insulin B chain, trimethylamine oxide | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4DWY
| Interactions of Mn2+ with a non-self-complementary Z-type DNA duplex | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3'), MANGANESE (II) ION | Authors: | Mandal, P.K, Venkadesh, S, Gautham, N. | Deposit date: | 2012-02-27 | Release date: | 2012-11-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Interactions of Mn(2+) with a non-self-complementary Z-type DNA duplex Acta Crystallogr.,Sect.F, 68, 2012
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6FK3
| Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal) | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | Deposit date: | 2018-01-23 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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6ESM
| Crystal structure of MMP9 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-23 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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5T4G
| Crystal structure of BhGH81 in complex with laminarin | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-08-29 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure. Structure, 25, 2017
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6B9F
| Human ATL1 mutant - F151S bound to GDPAlF4- | Descriptor: | Atlastin-1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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8JTJ
| Cryo-EM structure of GeoCas9-sgRNA-dsDNA ternary complex | Descriptor: | CRISPR-associated endonuclease Cas9, DNA (29-MER), DNA (5'-D(P*GP*GP*GP*CP*GP*CP*GP*AP*A)-3'), ... | Authors: | Shen, P.P, Liu, B.B, Li, X, Zhang, L.L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-06-21 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Cryo-EM structure of GeoCas9-sgRNA-DNA ternary complex To Be Published
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