7ODL
 
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2021-04-29 | | Release date: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7OD3
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2021-04-28 | | Release date: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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4UYA
 | | Structure of MLK4 kinase domain with ATPgammaS | | Descriptor: | MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | | Deposit date: | 2014-08-29 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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135D
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6YFF
 | | Virus-like particle of Beihai levi-like virus 21 | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.089 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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1AMQ
 | | X-RAY CRYSTALLOGRAPHIC STUDY OF PYRIDOXAMINE 5'-PHOSPHATE-TYPE ASPARTATE AMINOTRANSFERASES FROM ESCHERICHIA COLI IN THREE FORMS | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE | | Authors: | Miyahara, I, Hirotsu, K, Hayashi, H, Kagamiyama, H. | | Deposit date: | 1994-07-01 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray crystallographic study of pyridoxamine 5'-phosphate-type aspartate aminotransferases from Escherichia coli in three forms.
J.Biochem.(Tokyo), 116, 1994
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1AO2
 | | cobalt(III)-deglycopepleomycin determined by NMR studies | | Descriptor: | AGLYCON OF PEPLOMYCIN, COBALT (III) ION, HYDROGEN PEROXIDE | | Authors: | Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J. | | Deposit date: | 1997-07-16 | | Release date: | 1999-07-30 | | Last modified: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Structures of cobalt(III)-pepleomycin and cobalt(III)-deglycopepleomycin (green forms) determined by NMR studies.
Eur.J.Biochem., 244, 1997
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8EKT
 | | CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target.
J.Med.Chem., 67, 2024
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6MRD
 | | ADP-bound human mitochondrial Hsp60-Hsp10 half-football complex | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | | Deposit date: | 2018-10-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin.
Nat Commun, 11, 2020
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1AI1
 | | HIV-1 V3 LOOP MIMIC | | Descriptor: | AIB142, IGG1-KAPPA 59.1 FAB (HEAVY CHAIN), IGG1-KAPPA 59.1 FAB (LIGHT CHAIN) | | Authors: | Ghiara, J.B, Wilson, I.A. | | Deposit date: | 1996-11-06 | | Release date: | 1997-05-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design of a constrained peptide mimic of the HIV-1 V3 loop neutralization site.
J.Mol.Biol., 266, 1997
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1A6G
 | | CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | | Deposit date: | 1998-02-25 | | Release date: | 1998-10-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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4WI7
 | | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2014-09-25 | | Release date: | 2015-09-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
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6YFA
 | | Virus-like particle of bacteriophage AVE015 | | Descriptor: | CALCIUM ION, coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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4WI8
 | | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation Y436A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose, ... | | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2014-09-25 | | Release date: | 2015-09-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
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8DDZ
 | | TEM-1 beta-lactamase A237Y | | Descriptor: | Beta-lactamase TEM | | Authors: | Ji, Z, Boxer, S.G, Mathews, I.I. | | Deposit date: | 2022-06-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
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4WH6
 | | Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir | | Descriptor: | Genome polyprotein, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, SULFATE ION, ... | | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | | Deposit date: | 2014-09-20 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
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7QNW
 | | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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1AMN
 | | TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE | | Descriptor: | ACETYLCHOLINESTERASE, M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE, SULFATE ION | | Authors: | Harel, M, Silman, I, Sussman, J.L. | | Deposit date: | 1996-02-13 | | Release date: | 1996-04-03 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The X-ray structure of a transition state analog complex reveals the molecular origins of the catalytic power and substrate specificity of acetylcholinesterase.
J.Am.Chem.Soc., 118, 1996
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8A0C
 | | Capsular polysaccharide synthesis multienzyme in complex with CMP | | Descriptor: | Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | Deposit date: | 2022-05-27 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
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8A0M
 | | Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment | | Descriptor: | Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | Deposit date: | 2022-05-29 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
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6N8P
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1AKD
 | | CYTOCHROME P450CAM FROM PSEUDOMONAS PUTIDA, COMPLEXED WITH 1S-CAMPHOR | | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, POTASSIUM ION, ... | | Authors: | Schlichting, I, Jung, C, Schulze, H. | | Deposit date: | 1997-05-16 | | Release date: | 1997-11-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of cytochrome P-450cam complexed with the (1S)-camphor enantiomer.
FEBS Lett., 415, 1997
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4WHW
 | | Direct photocapture of bromodomains using tropolone chemical probes | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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1A88
 | | CHLOROPEROXIDASE L | | Descriptor: | CHLOROPEROXIDASE L | | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | | Deposit date: | 1998-04-03 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
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4WGH
 | | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution | | Descriptor: | ACETATE ION, Aldehyde reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bacal, P, Shabalin, I.G, Cooper, D.R, Hillerich, B.S, Zimmerman, M.D, Chowdhury, S, Hammonds, J, Al Obaidi, N, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-18 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution
to be published
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