6UGJ
 
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6M30
 | | Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase N73F | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Retnoningrum, D.S, Yoshida, H, Razani, M.D, Meidianto, V.F, Hartanto, A, Artarini, A, Ismaya, W.T. | | Deposit date: | 2020-03-02 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Unprecedented Role of The N73-F124 Pair in The Staphylococcus equorum MnSOD Activity.
Curr Enzym Inhib, 2021
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6M3Z
 | | X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in milnacipran bound form | | Descriptor: | (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide, Antibody fragment 9D5 Light chain, Antibody fragment 9D5 heavy chain, ... | | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | Deposit date: | 2020-03-04 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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6M47
 | | X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in tramadol bound form | | Descriptor: | (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol, Antibody fragment 9D5 light chain, Antibody fragment Heavy chain, ... | | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | Deposit date: | 2020-03-05 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.252 Å) | | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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7AYI
 | | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2a) | | Descriptor: | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Molecules, 26, 2021
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8E1B
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6O8N
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7N3E
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032 | | Descriptor: | C032 Fab Heavy Chain, C032 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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7N1C
 | | SARS-CoV-2 RLQ peptide-specific TCR pRLQ3 | | Descriptor: | pRLQ3 T cell receptor alpha chain, pRLQ3 T cell receptor beta chain | | Authors: | Wu, D, Mariuzza, R.A. | | Deposit date: | 2021-05-27 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
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6OXR
 | | HIV-1 Protease NL4-3 WT in Complex with LR-82 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.035 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OXU
 | | HIV-1 Protease NL4-3 WT in Complex with LR-99 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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7N3G
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098 | | Descriptor: | C098 Fab Heavy Chain, C098 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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7APM
 | | tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2020-10-18 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7N64
 | | SARS-CoV-2 Spike (2P) in complex with G32R7 Fab (RBD and NTD local reconstruction) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G32R7 Fab heavy chain, ... | | Authors: | Windsor, I.W, Jenni, S, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | | Deposit date: | 2021-06-07 | | Release date: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike.
Biorxiv, 2021
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7N3F
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080 | | Descriptor: | C080 Fab Heavy Chain, C080 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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7N3H
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099 | | Descriptor: | C099 Fab Heavy Chain, C099 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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7N62
 | | SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ... | | Authors: | Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | | Deposit date: | 2021-06-07 | | Release date: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike.
Biorxiv, 2021
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7N3I
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment C098 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C098 Fab heavy chain, C098 Fab light chain, ... | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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6O7W
 | | Saccharomyces cerevisiae V-ATPase Stv1-V1VO State 2 | | Descriptor: | Putative protein YPR170W-B, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | | Authors: | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | | Deposit date: | 2019-03-08 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6OPX
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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7N0V
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6OQS
 | | E. coli ATP synthase State 1b | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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8CGT
 | | STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH A THIO-MALTOHEXAOSE | | Descriptor: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose | | Authors: | Schmidt, A.K, Schulz, G.E. | | Deposit date: | 1998-09-27 | | Release date: | 1998-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
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8CAT
 | | The NADPH binding site on beef liver catalase | | Descriptor: | CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Murthy, M.R.N, Reid III, T.J, Sicignano, A, Tanaka, N, Fita, I, Rossmann, M.G. | | Deposit date: | 1984-11-15 | | Release date: | 1985-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The NADPH binding site on beef liver catalase.
Proc.Natl.Acad.Sci.USA, 82, 1985
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6ORF
 | | Crystal structure of SpGH29 | | Descriptor: | 1,2-ETHANEDIOL, SpGH29, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-04-30 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
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