4RX4
 
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ... | | Authors: | Zhou, T, Acharya, P, Moquin, S, Kwong, P.D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-01 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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4RWY
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Acharya, P, Luongo, T.S, Kwong, P.D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.128 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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8AJZ
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2022-07-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8EK1
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8EKA
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6XK0
 | | Albumin-dexamethasone complex | | Descriptor: | Albumin, CITRATE ANION, DEXAMETHASONE, ... | | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2020-06-24 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.
Iucrj, 7, 2020
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7KFA
 | | PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Chopra, R, Xu, M, Spraggon, G. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
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7KEV
 | | PCSK9 in complex with a cyclic peptide LDLR disruptor | | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | | Authors: | Spraggon, G, Chopra, R. | | Deposit date: | 2020-10-12 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
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4J6R
 | | Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-02-11 | | Release date: | 2013-05-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
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6OP9
 | | HER3 pseudokinase domain bound to bosutinib | | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Receptor tyrosine-protein kinase erbB-3 | | Authors: | Littlefield, P, Agnew, C, Jura, N. | | Deposit date: | 2019-04-24 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers.
Cell Rep, 38, 2022
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4JB9
 | | Crystal structure of antibody VRC06 in complex with HIV-1 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, antibody VRC06 heavy chain, antibody VRC06 light chain, ... | | Authors: | Kwon, Y.D, Zhou, T, Srivatsan, S, Kwong, P.D. | | Deposit date: | 2013-02-19 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
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4JPW
 | | Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY 12A21, ... | | Authors: | Acharya, P, Luongo, T, Zhou, T, Kwong, P.D. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.904 Å) | | Cite: | Somatic mutations of the immunoglobulin framework are generally required for broad and potent HIV-1 neutralization.
Cell(Cambridge,Mass.), 153, 2013
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6UVK
 | | OXA-48 bound by inhibitor CDD-97 | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | | Deposit date: | 2019-11-02 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
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8EH5
 | | Cryo-EM structure of L9 Fab in complex with rsCSP | | Descriptor: | Circumsporozoite protein, L9 Heavy chain, L9 Light chain | | Authors: | Martin, G.M, Ward, A.B. | | Deposit date: | 2022-09-13 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structural basis of epitope selectivity and potent protection from malaria by PfCSP antibody L9.
Nat Commun, 14, 2023
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6UT2
 | | 3D structure of the leiomodin/tropomyosin binding interface | | Descriptor: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | | Authors: | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | | Deposit date: | 2019-10-29 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments.
Plos Biol., 18, 2020
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5L4O
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3SNL
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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3LHG
 | | Bace1 in complex with the aminohydantoin Compound 4g | | Descriptor: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | Authors: | Olland, A.M. | | Deposit date: | 2010-01-22 | | Release date: | 2010-04-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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7AYY
 | | Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ... | | Authors: | Masuyer, G, Davies, J.R, Stenmark, P. | | Deposit date: | 2020-11-13 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
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7AYZ
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7AZ0
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5V7J
 | | Crystal Structure at 3.7 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Four Glycans (N197, N276, N362, and N462) removed in Complex with Neutralizing Antibodies 3H+109L and 35O22. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 35O22 Fab heavy chain, ... | | Authors: | Stewart-Jones, G.B.E, Zhou, T, Kwong, P.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.907 Å) | | Cite: | Quantification of the Impact of the HIV-1-Glycan Shield on Antibody Elicitation.
Cell Rep, 19, 2017
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8B0A
 | | Cryo-EM structure of ALC1 bound to an asymmetric, site-specifically PARylated nucleosome | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1-like, DNA (149-MER) Widom 601 sequence, Histone H2A type 1, ... | | Authors: | Bacic, L, Gaullier, G, Deindl, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Asymmetric nucleosome PARylation at DNA breaks mediates directional nucleosome sliding by ALC1.
Nat Commun, 15, 2024
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8SJ3
 | | Beta-lactamase CTX-M-14 E166Y/N170G | | Descriptor: | Beta-lactamase CTX-M-14 | | Authors: | Judge, A, Palzkill, T, Sankaran, B, Prasad, B.V.V, Hu, L. | | Deposit date: | 2023-04-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Network of epistatic interactions in an enzyme active site revealed by large-scale deep mutational scanning.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5ZB4
 | | Crystal structure of thymidylate kinase in complex with ADP and TMP from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
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