6QR0
 
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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7JY0
 | | Structure of HbA with compound 9 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JXZ
 | | Structure of HbA with compound (S)-4 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JY3
 | | Structure of HbA with compound 23 (PF-07059013) | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JY1
 | | Structure of HbA with compound 19 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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8HNS
 | | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | | Descriptor: | GLYCEROL, anti-CRISPR protein AcrIIC4 | | Authors: | Sun, W, Cheng, Z, Yang, J, Wang, Y. | | Deposit date: | 2022-12-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNV
 | | CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4 | | Descriptor: | CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ... | | Authors: | Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y. | | Deposit date: | 2022-12-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNW
 | | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | | Descriptor: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | | Authors: | Sun, W, Cheng, Z, Wang, Y. | | Deposit date: | 2022-12-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNT
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8TUK
 | | Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain | | Descriptor: | 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE | | Authors: | Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B. | | Deposit date: | 2023-08-16 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase.
J.Biol.Chem., 300, 2024
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8TLY
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8FD1
 | | Crystal structure of photoactivated rhodopsin in complex with a nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ... | | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | | Deposit date: | 2022-12-01 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.25 Å) | | Cite: | Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
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8FD0
 | | Crystal structure of bovine rod opsin in complex with a nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ... | | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | | Deposit date: | 2022-12-01 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
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8FCZ
 | | Crystal structure of ground-state rhodopsin in complex with a nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ... | | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | | Deposit date: | 2022-12-01 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
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7OC9
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7DZY
 | | Spike protein from SARS-CoV2 with Fab fragment of enhancing antibody 2490 | | Descriptor: | Fab Heavy chain of enhancing antibody 2490, Fab light chain of enhancing antibody 2490, Spike glycoprotein | | Authors: | Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
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7DZX
 | | Spike protein from SARS-CoV2 with Fab fragment of enhancing antibody 8D2 | | Descriptor: | Fab Heavy chain of enhancing antibody, Fab light chain of enhancing antibody, Spike glycoprotein | | Authors: | Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
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7DZW
 | | Apo spike protein from SARS-CoV2 | | Descriptor: | Spike glycoprotein | | Authors: | Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
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6NF0
 | | Nocturnin with bound NADPH substrate | | Descriptor: | CALCIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Nocturnin | | Authors: | Estrella, M.A, Du, J, Korennykh, A. | | Deposit date: | 2018-12-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The metabolites NADP+and NADPH are the targets of the circadian protein Nocturnin (Curled).
Nat Commun, 10, 2019
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7ORA
 | | Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-06-04 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
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7NEG
 | | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-02-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
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7NEH
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-02-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
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8PH4
 | | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | | Authors: | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2023-06-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
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6YQM
 | | Human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with dGMP and refined to 1.02 A | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1 | | Authors: | Dolot, R.D, Seda, A, Nawrot, B.C. | | Deposit date: | 2020-04-17 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
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7ORB
 | | Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-06-04 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
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