5NMI
 
 | | Cytochrome bc1 bound to the inhibitor MJM170 | | Descriptor: | (4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ARG-ASN-TRP-VAL-PRO-THR-ALA-GLN-LEU-TRP-GLY-ALA-VAL-GLY-ALA-VAL-GLY-LEU-VAL-SER-ALA-THR, ... | | Authors: | Capper, N.J, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-04-05 | | Release date: | 2017-06-14 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections.
Sci Rep, 6, 2016
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6Z1H
 | | Ancestral glycosidase (family 1) | | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | | Deposit date: | 2020-05-13 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
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8DUT
 | | Duplex-G-quadruplex-duplex (DGD) class_1 | | Descriptor: | Duplex-G-quadruplex-duplex (46-MER) | | Authors: | Monsen, R.C, Chua, E.Y.D, Hopkins, J.B, Chaires, J.B, Trent, J.O. | | Deposit date: | 2022-07-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Structure of a 28.5 kDa duplex-embedded G-quadruplex system resolved to 7.4 angstrom resolution with cryo-EM.
Nucleic Acids Res., 51, 2023
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8SAS
 | | CryoEM structure of DH270.5-CH848.10.17 | | Descriptor: | CH848.10.17 gp120, CH848.10.17 gp41, DH270.5 variable heavy chian, ... | | Authors: | Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P. | | Deposit date: | 2023-04-01 | | Release date: | 2023-04-19 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
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8SB2
 | | CryoEM structure of DH270.I2-CH848.10.17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.10.17.SOSIP gp120, CH848.10.17.SOSIP gp41, ... | | Authors: | Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P. | | Deposit date: | 2023-04-02 | | Release date: | 2023-04-19 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
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7BMK
 | | ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR.
Nat.Chem.Biol., 17, 2021
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7UNW
 | | Pseudomonas aeruginosa 70S ribosome initiation complex bound to IF2-GDPCP (structure II-B) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Basu, R.S, Sherman, M.B, Gagnon, M.G. | | Deposit date: | 2022-04-11 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Compact IF2 allows initiator tRNA accommodation into the P site and gates the ribosome to elongation
Nat Commun, 13, 2022
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7UNU
 | | Pseudomonas aeruginosa 70S ribosome initiation complex bound to compact IF2-GDP (composite structure I-B) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Basu, R.S, Sherman, M.B, Gagnon, M.G. | | Deposit date: | 2022-04-11 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Compact IF2 allows initiator tRNA accommodation into the P site and gates the ribosome to elongation
Nat Commun, 13, 2022
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8TKN
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter | | Descriptor: | DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit | | Authors: | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | | Deposit date: | 2023-07-25 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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8TKL
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA | | Descriptor: | Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA | | Authors: | Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T. | | Deposit date: | 2023-07-25 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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8P65
 | | Cytochrome bc1 complex (Bos taurus) | | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | | Authors: | Phillips, B.P, Barra, I.M.C.C, Meier, T.K, Rimle, L, von Ballmoos, C. | | Deposit date: | 2023-05-25 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cytochrome bc1 complex (Bos taurus)
To Be Published
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8EOK
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8T49
 | | MD65 N332-GT5 SOSIP in complex with RM_N332_03 Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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6Y8O
 | | Mycobacterium smegmatis GyrB 22kDa ATPase sub-domain in complex with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA gyrase subunit B, ... | | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | | Deposit date: | 2020-03-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
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7NF8
 | | Ovine (b0,+AT-rBAT)2 hetero-tetramer, asymmetric unit, rigid-body fitted | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lee, Y, Kuehlbrandt, W. | | Deposit date: | 2021-02-05 | | Release date: | 2022-01-19 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Nat Commun, 13, 2022
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7NF6
 | | Ovine b0,+AT-rBAT heterodimer | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lee, Y, Kuehlbrandt, W. | | Deposit date: | 2021-02-05 | | Release date: | 2022-01-19 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Nat Commun, 13, 2022
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7ALO
 | | Structure of B*27:09/photoRL9 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Loll, B, Lan, H, Freund, C. | | Deposit date: | 2020-10-07 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules.
Nat Commun, 12, 2021
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6Y1J
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7ODU
 | | Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D11, ... | | Authors: | Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J. | | Deposit date: | 2021-04-30 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
To Be Published
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
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7QVL
 | | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | | Descriptor: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2022-01-21 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
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7QWV
 | | Crystal structure of the REC114-TOPOVIBL complex. | | Descriptor: | Meiotic recombination protein REC114, Type 2 DNA topoisomerase 6 subunit B-like | | Authors: | Juarez-Martinez, A.B, Robert, T, de Massy, B, Kadlec, J. | | Deposit date: | 2022-01-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | TOPOVIBL-REC114 interaction regulates meiotic DNA double-strand breaks.
Nat Commun, 13, 2022
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7QVJ
 | | ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29 | | Descriptor: | 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2022-01-21 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
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8GJN
 | | 17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ... | | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
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5MEI
 | | Crystal structure of Agelastatin A bound to the 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O. | | Deposit date: | 2016-11-15 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
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