8HO1
 
 | | Crystal structure of cytochrome P450 NasF5053 mutant F387G | | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6Y41
 | | Fibrinogen-like globe domain of human ANGPTL2 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ... | | Authors: | Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fibrinogen-like globe domain of human ANGPTL2
To Be Published
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7KMH
 | | LY-CoV488 neutralizing antibody against SARS-CoV-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
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7KZB
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6V9S
 | | Structure-based development of subtype-selective orexin 1 receptor antagonists | | Descriptor: | CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ... | | Authors: | Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P. | | Deposit date: | 2019-12-16 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7KNB
 | | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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8C2H
 | | Transmembrane domain of active state homomeric GluA1 AMPA receptor in tandem with TARP gamma 3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ... | | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | | Deposit date: | 2022-12-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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6Y6K
 | | Cryo-EM structure of a Phenuiviridae L protein | | Descriptor: | MAGNESIUM ION, RNA-dependent RNA polymerase | | Authors: | Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M. | | Deposit date: | 2020-02-26 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
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3HS7
 | | X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | | Deposit date: | 2009-06-10 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
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6YAO
 | | Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea, Cytokinin dehydrogenase 4, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2020-03-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
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7N9G
 | | Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... | | Authors: | Miller, D.J, Xie, T. | | Deposit date: | 2021-06-17 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imatinib can act as an Allosteric Activator of Abl Kinase.
J.Mol.Biol., 434, 2022
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6F0V
 | | GLIC mutant E82Q | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-20 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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8C1P
 | | Active state homomeric GluA1 AMPA receptor in complex with TARP gamma 3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CYCLOTHIAZIDE, ... | | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | | Deposit date: | 2022-12-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Musil, D, Toure, M. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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7AFH
 | | Bacterial 30S ribosomal subunit assembly complex state C (head domain) | | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | | Deposit date: | 2020-09-19 | | Release date: | 2021-07-07 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
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6F11
 | | GLIC mutant D86A | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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8C1S
 | | Transmembrane domain of resting state homomeric GluA2 F231A mutant AMPA receptor in complex with TARP gamma 2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ... | | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | | Deposit date: | 2022-12-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8C2I
 | | Transmembrane domain of resting state homomeric GluA1 AMPA receptor in complex with TARP gamma 3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ... | | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | | Deposit date: | 2022-12-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8HNY
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-11 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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6V8D
 | | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | | Descriptor: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | | Deposit date: | 2019-12-10 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
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8C1R
 | | Resting state homomeric GluA2 F231A mutant AMPA receptor in complex with TARP gamma-2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ... | | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | | Deposit date: | 2022-12-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8C1Q
 | | Resting state homomeric GluA1 AMPA receptor in complex with TARP gamma 3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ... | | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | | Deposit date: | 2022-12-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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5KAP
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7KMS
 | | Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-03 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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