8VEJ
 
 | | De novo designed cholic acid binder: CHD_buttress | | Descriptor: | CHD_buttress, CHOLIC ACID | | Authors: | Bera, A.K, Tran, L, Kang, A, Baker, D. | | Deposit date: | 2023-12-19 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
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5LA8
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8A2U
 | | Cryo-EM structure of F-actin in the Ca2+-ADP-BeF3- nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
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4RNV
 | | G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, P-HYDROXYBENZALDEHYDE | | Authors: | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | Deposit date: | 2014-10-26 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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6VWK
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8A2Y
 | | Cryo-EM structure of F-actin in the Ca2+-ADP-Pi nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
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6XGV
 | | Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6HDC
 | | Crystal structure of the potassium channel MtTMEM175 T38A variant in complex with a Nanobody-MBP fusion protein | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM 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 (3.4 Å) | | Cite: | Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
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5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | Deposit date: | 2015-12-03 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
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8A2S
 | | Cryo-EM structure of F-actin in the Mg2+-ADP-Pi nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.22 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
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8D50
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7QF1
 | | Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.6264 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2.6264 heavy chain, CV2.6264 light chain, ... | | Authors: | Fernandez, I, Pederzoli, R, Rey, F.A. | | Deposit date: | 2021-12-03 | | Release date: | 2022-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
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5F5C
 | | Crystal Structure of human JMJD2D complexed with KDOPP7 | | Descriptor: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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8W2C
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7ZSI
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound after 5 minutes of illumination | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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8D2K
 | | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 2) | | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ... | | Authors: | Rai, J, Das, A, Li, H. | | Deposit date: | 2022-05-30 | | Release date: | 2023-12-20 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
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6XC7
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.3 and CR3022 | | Descriptor: | CC12.3 heavy chain, CC12.3 light chain, CR3022 heavy chain, ... | | Authors: | Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A. | | Deposit date: | 2020-06-08 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.883 Å) | | Cite: | Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
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8D2L
 | | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 1) | | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ... | | Authors: | Rai, J, Das, A, Li, H. | | Deposit date: | 2022-05-30 | | Release date: | 2023-12-20 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
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4TQO
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5KOV
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7ZR2
 | | Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2 | | Descriptor: | Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1 | | Authors: | Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F. | | Deposit date: | 2022-05-03 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity.
Int.J.Biol.Macromol., 222, 2022
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8OO0
 | | Chaetomium thermophilum Methionine Aminopeptidase 2 autoproteolysis product at the 80S ribosome | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S0, ... | | Authors: | Klein, M.A, Wild, K, Kisonaite, M, Sinning, I. | | Deposit date: | 2023-04-04 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
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7ZSH
 | | Structure of Orange Carotenoid Protein with canthaxanthin bound after 2 minutes of illumination | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
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5KTE
 | | Crystal structure of Deinococcus radiodurans MntH, an Nramp-family transition metal transporter | | Descriptor: | Divalent metal cation transporter MntH, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Bane, L.B, Gaudet, R, Weihofen, W.A, Singharoy, A. | | Deposit date: | 2016-07-11 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.941 Å) | | Cite: | Crystal Structure and Conformational Change Mechanism of a Bacterial Nramp-Family Divalent Metal Transporter.
Structure, 24, 2016
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8VTY
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with ciprofloxacin and protein Y at 2.60A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 16S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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